REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1l5a_1_B DATA FIRST_RESID 1 DATA SEQUENCE MLLAQKPFWQ RHLAYPHINL DTVAHSLRLT GPLDTTLLLR ALHLTVSEID DATA SEQUENCE LFRARFSAQG ELYWHPFSPP IDYQDLSIHL EAEPLAWRQI EQDLQRSSTL DATA SEQUENCE IDAPITSHQV YRLSHSEHLI YTRAHHIVLD GYGMMLFEQR LSQHYQSLLS DATA SEQUENCE GQTPTAAFKP YQSYLEEEAA YLTSHRYWQD KQFWQGYLRE APDLTLTSAT DATA SEQUENCE YDPQLSHAVS LSYTLNSQLN HLLLKLANAN QIGWPDALVA LCALYLESAE DATA SEQUENCE PDAPWLWLPF MNRWGSVAAN VPGLMVNSLP LLRLSAQQTS LGNYLKQSGQ DATA SEQUENCE AIRSLYLHGR YRIEQIEQDQ GLNAEQSYFM SPFINILPFE SPHFADCQTE DATA SEQUENCE LKVLASGSAE GINFTFRGSP QHELCLDITA DLASYPQSHW QSHCERFPRF DATA SEQUENCE FEQLLARFQQ VEQDVARLLA EPAA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.373 176.300 0.122 0.000 1.140 1 M CA 0.000 55.360 55.300 0.100 0.000 0.988 1 M CB 0.000 32.616 32.600 0.027 0.000 1.302 2 L N 3.079 124.407 121.223 0.176 0.000 2.439 2 L HA 0.219 4.560 4.340 0.000 0.000 0.261 2 L C 1.056 178.018 176.870 0.154 0.000 1.153 2 L CA -0.605 54.339 54.840 0.174 0.000 0.808 2 L CB 0.723 42.928 42.059 0.242 0.000 1.126 2 L HN 0.774 nan 8.230 nan 0.000 0.460 3 L N 2.632 123.934 121.223 0.131 0.000 2.042 3 L HA -0.167 4.173 4.340 0.000 0.000 0.210 3 L C 2.347 179.305 176.870 0.147 0.000 1.076 3 L CA 2.246 57.157 54.840 0.117 0.000 0.749 3 L CB -0.838 41.273 42.059 0.088 0.000 0.893 3 L HN 0.782 nan 8.230 nan 0.000 0.432 4 A N -1.609 121.320 122.820 0.182 0.000 2.125 4 A HA -0.209 4.111 4.320 0.000 0.000 0.219 4 A C 2.146 179.922 177.584 0.320 0.000 1.156 4 A CA 1.599 53.773 52.037 0.228 0.000 0.671 4 A CB -0.419 18.727 19.000 0.243 0.000 0.794 4 A HN 0.692 nan 8.150 nan 0.000 0.459 5 Q N -0.736 119.234 119.800 0.284 0.000 2.250 5 Q HA -0.018 4.322 4.340 0.000 0.000 0.200 5 Q C 1.788 177.969 176.000 0.302 0.000 0.941 5 Q CA 0.789 56.789 55.803 0.327 0.000 0.872 5 Q CB -0.032 28.837 28.738 0.218 0.000 0.965 5 Q HN 0.636 nan 8.270 nan 0.000 0.480 6 K N 0.788 121.314 120.400 0.211 0.000 2.059 6 K HA -0.181 4.139 4.320 0.000 0.000 0.212 6 K C -0.898 175.809 176.600 0.180 0.000 1.050 6 K CA 1.724 58.132 56.287 0.202 0.000 0.927 6 K CB -0.941 31.646 32.500 0.145 0.000 0.714 6 K HN 0.217 nan 8.250 nan 0.000 0.447 7 P HA -0.156 nan 4.420 nan 0.000 0.218 7 P C 1.084 178.313 177.300 -0.118 0.000 1.149 7 P CA 1.381 64.434 63.100 -0.079 0.000 0.817 7 P CB -0.081 31.489 31.700 -0.217 0.000 0.785 8 F N -1.407 118.608 119.950 0.107 0.000 2.146 8 F HA -0.090 4.437 4.527 0.000 0.000 0.298 8 F C 2.840 178.732 175.800 0.153 0.000 1.096 8 F CA 0.967 59.047 58.000 0.132 0.000 1.275 8 F CB -1.189 37.917 39.000 0.178 0.000 1.008 8 F HN -0.022 nan 8.300 nan 0.000 0.480 9 W N 1.346 122.692 121.300 0.077 0.000 2.335 9 W HA -0.250 4.410 4.660 0.000 0.000 0.311 9 W C 2.045 178.593 176.519 0.048 0.000 1.213 9 W CA 1.342 58.672 57.345 -0.025 0.000 1.274 9 W CB -0.196 29.214 29.460 -0.083 0.000 1.148 9 W HN 0.039 nan 8.180 nan 0.000 0.498 10 Q N 0.594 120.386 119.800 -0.013 0.000 2.030 10 Q HA -0.224 4.116 4.340 0.000 0.000 0.204 10 Q C 2.134 178.043 176.000 -0.151 0.000 0.986 10 Q CA 1.959 57.672 55.803 -0.151 0.000 0.843 10 Q CB -0.960 27.750 28.738 -0.047 0.000 0.904 10 Q HN 0.421 nan 8.270 nan 0.000 0.420 11 R N -0.378 120.106 120.500 -0.027 0.000 2.103 11 R HA -0.209 4.131 4.340 0.000 0.000 0.242 11 R C 2.273 178.606 176.300 0.056 0.000 1.142 11 R CA 1.761 57.906 56.100 0.075 0.000 0.960 11 R CB -0.521 29.817 30.300 0.065 0.000 0.858 11 R HN 0.454 nan 8.270 nan 0.000 0.439 12 H N 0.520 119.543 119.070 -0.079 0.000 2.353 12 H HA -0.053 4.503 4.556 0.000 0.000 0.300 12 H C 1.800 176.953 175.328 -0.292 0.000 1.090 12 H CA 1.684 57.645 56.048 -0.146 0.000 1.327 12 H CB -0.158 29.490 29.762 -0.189 0.000 1.383 12 H HN 0.095 nan 8.280 nan 0.000 0.508 13 L N -0.208 120.600 121.223 -0.692 0.000 2.083 13 L HA -0.096 4.244 4.340 0.000 0.000 0.209 13 L C 2.734 179.278 176.870 -0.543 0.000 1.083 13 L CA 0.996 55.432 54.840 -0.672 0.000 0.752 13 L CB -0.675 41.031 42.059 -0.589 0.000 0.899 13 L HN 0.482 nan 8.230 nan 0.000 0.433 14 A N -1.084 121.411 122.820 -0.542 0.000 2.119 14 A HA -0.107 4.214 4.320 0.000 0.000 0.217 14 A C 0.269 177.121 177.584 -1.220 0.000 1.153 14 A CA 0.945 52.480 52.037 -0.836 0.000 0.692 14 A CB -0.277 18.169 19.000 -0.923 0.000 0.799 14 A HN 0.528 nan 8.150 nan 0.000 0.458 15 Y N -2.703 117.401 120.300 -0.328 0.000 2.640 15 Y HA 0.300 4.851 4.550 0.000 0.000 0.295 15 Y C -2.280 173.273 175.900 -0.578 0.000 1.023 15 Y CA -2.057 55.787 58.100 -0.426 0.000 1.163 15 Y CB 0.054 38.253 38.460 -0.434 0.000 1.145 15 Y HN 0.076 nan 8.280 nan 0.000 0.609 16 P HA -0.292 nan 4.420 nan 0.000 0.218 16 P C 1.536 178.784 177.300 -0.088 0.000 1.154 16 P CA 2.483 65.380 63.100 -0.337 0.000 0.872 16 P CB 0.122 31.712 31.700 -0.184 0.000 0.790 17 H N 0.510 119.565 119.070 -0.025 0.000 2.269 17 H HA -0.074 4.482 4.556 0.000 0.000 0.299 17 H C 1.409 176.761 175.328 0.040 0.000 1.058 17 H CA 0.611 56.668 56.048 0.015 0.000 1.246 17 H CB -2.097 27.669 29.762 0.007 0.000 1.376 17 H HN 0.140 nan 8.280 nan 0.000 0.503 18 I N 0.754 121.182 120.570 -0.237 0.000 2.775 18 I HA 0.007 4.177 4.170 0.000 0.000 0.290 18 I C -0.475 175.610 176.117 -0.054 0.000 1.203 18 I CA 0.367 61.597 61.300 -0.116 0.000 1.433 18 I CB 0.069 37.961 38.000 -0.181 0.000 1.354 18 I HN 0.100 nan 8.210 nan 0.000 0.579 19 N N 5.243 123.939 118.700 -0.007 0.000 2.918 19 N HA 0.299 5.039 4.740 0.000 0.000 0.247 19 N C 0.783 176.271 175.510 -0.037 0.000 1.117 19 N CA -0.377 52.684 53.050 0.018 0.000 1.005 19 N CB 0.860 39.367 38.487 0.033 0.000 1.297 19 N HN 0.669 nan 8.380 nan 0.000 0.513 20 L N 0.095 121.287 121.223 -0.053 0.000 2.141 20 L HA -0.048 4.292 4.340 0.000 0.000 0.209 20 L C 0.061 176.881 176.870 -0.083 0.000 1.094 20 L CA 1.095 55.883 54.840 -0.086 0.000 0.763 20 L CB 0.131 42.120 42.059 -0.117 0.000 0.908 20 L HN 0.395 nan 8.230 nan 0.000 0.437 21 D N 0.151 120.471 120.400 -0.133 0.000 2.462 21 D HA 0.284 4.924 4.640 0.000 0.000 0.249 21 D C -0.550 175.505 176.300 -0.408 0.000 1.117 21 D CA 0.155 54.049 54.000 -0.176 0.000 0.900 21 D CB 1.503 42.322 40.800 0.033 0.000 1.039 21 D HN -0.069 nan 8.370 nan 0.000 0.516 22 T N 0.402 114.849 114.554 -0.178 0.000 2.893 22 T HA 0.441 4.791 4.350 0.000 0.000 0.293 22 T C -0.264 174.396 174.700 -0.067 0.000 1.027 22 T CA -0.579 61.422 62.100 -0.165 0.000 0.988 22 T CB 2.440 71.244 68.868 -0.107 0.000 1.043 22 T HN -0.073 nan 8.240 nan 0.000 0.461 23 V N 2.016 121.858 119.914 -0.120 0.000 2.444 23 V HA 0.869 4.990 4.120 0.000 0.000 0.294 23 V C -0.430 175.577 176.094 -0.144 0.000 1.022 23 V CA -0.677 61.562 62.300 -0.101 0.000 0.850 23 V CB 1.281 32.973 31.823 -0.218 0.000 0.992 23 V HN 1.132 nan 8.190 nan 0.000 0.426 24 A N 3.987 126.799 122.820 -0.013 0.000 2.456 24 A HA 0.754 5.074 4.320 0.000 0.000 0.288 24 A C -0.980 176.723 177.584 0.200 0.000 1.042 24 A CA -0.499 51.501 52.037 -0.063 0.000 0.738 24 A CB 0.990 19.960 19.000 -0.050 0.000 1.266 24 A HN 0.935 nan 8.150 nan 0.000 0.407 25 H N 0.749 119.761 119.070 -0.097 0.000 2.651 25 H HA 0.752 5.308 4.556 0.000 0.000 0.353 25 H C 0.020 175.394 175.328 0.076 0.000 1.178 25 H CA -0.532 55.538 56.048 0.037 0.000 1.224 25 H CB 2.173 31.980 29.762 0.075 0.000 1.702 25 H HN 0.766 nan 8.280 nan 0.000 0.550 26 S N 1.819 117.689 115.700 0.283 0.000 2.526 26 S HA 0.595 5.065 4.470 0.000 0.000 0.293 26 S C -1.074 173.662 174.600 0.227 0.000 1.092 26 S CA -0.974 57.381 58.200 0.258 0.000 0.980 26 S CB 1.342 64.715 63.200 0.288 0.000 1.048 26 S HN 0.428 nan 8.310 nan 0.000 0.483 27 L N 2.226 123.566 121.223 0.194 0.000 2.372 27 L HA 0.574 4.914 4.340 0.000 0.000 0.274 27 L C 0.051 176.999 176.870 0.130 0.000 0.988 27 L CA -0.632 54.315 54.840 0.177 0.000 0.833 27 L CB 1.853 44.026 42.059 0.190 0.000 1.236 27 L HN 0.637 nan 8.230 nan 0.000 0.410 28 R N 4.103 124.685 120.500 0.137 0.000 2.229 28 R HA 0.578 4.918 4.340 0.000 0.000 0.332 28 R C -1.168 175.181 176.300 0.082 0.000 0.989 28 R CA -0.587 55.581 56.100 0.113 0.000 0.842 28 R CB 1.015 31.401 30.300 0.144 0.000 1.119 28 R HN 0.575 nan 8.270 nan 0.000 0.456 29 L N 3.835 125.081 121.223 0.039 0.000 2.280 29 L HA 0.353 4.693 4.340 0.000 0.000 0.287 29 L C -0.133 176.755 176.870 0.031 0.000 1.023 29 L CA -0.462 54.381 54.840 0.004 0.000 0.819 29 L CB 1.854 43.819 42.059 -0.157 0.000 1.212 29 L HN 0.512 nan 8.230 nan 0.000 0.420 30 T N 2.579 117.156 114.554 0.038 0.000 2.770 30 T HA 0.763 5.113 4.350 0.000 0.000 0.283 30 T C 0.297 175.015 174.700 0.030 0.000 0.988 30 T CA -0.281 61.834 62.100 0.024 0.000 0.957 30 T CB 1.729 70.613 68.868 0.027 0.000 0.930 30 T HN 0.960 nan 8.240 nan 0.000 0.443 31 G N 4.404 113.215 108.800 0.018 0.000 2.350 31 G HA2 0.247 4.207 3.960 0.000 0.000 0.282 31 G HA3 0.247 4.207 3.960 0.000 0.000 0.282 31 G C -3.202 171.730 174.900 0.052 0.000 1.314 31 G CA -0.939 44.182 45.100 0.036 0.000 0.915 31 G HN 0.375 nan 8.290 nan 0.000 0.499 32 P HA 0.398 nan 4.420 nan 0.000 0.211 32 P C 0.166 177.544 177.300 0.130 0.000 1.833 32 P CA -0.517 62.653 63.100 0.116 0.000 0.938 32 P CB 0.224 31.992 31.700 0.113 0.000 1.808 33 L N 0.850 122.144 121.223 0.119 0.000 2.506 33 L HA 0.091 4.431 4.340 0.000 0.000 0.281 33 L C 0.577 177.507 176.870 0.099 0.000 1.228 33 L CA 0.637 55.517 54.840 0.068 0.000 0.850 33 L CB 0.118 42.101 42.059 -0.127 0.000 1.110 33 L HN 0.035 nan 8.230 nan 0.000 0.496 34 D N 2.950 123.463 120.400 0.189 0.000 2.422 34 D HA 0.059 4.700 4.640 0.000 0.000 0.227 34 D C 0.886 177.193 176.300 0.012 0.000 1.190 34 D CA 0.074 54.139 54.000 0.107 0.000 0.905 34 D CB 0.984 41.830 40.800 0.076 0.000 1.034 34 D HN 0.751 nan 8.370 nan 0.000 0.507 35 T N 2.289 116.789 114.554 -0.090 0.000 2.570 35 T HA -0.212 4.138 4.350 0.000 0.000 0.266 35 T C 1.808 176.382 174.700 -0.209 0.000 1.071 35 T CA 2.016 63.976 62.100 -0.233 0.000 1.172 35 T CB -0.337 68.497 68.868 -0.056 0.000 0.864 35 T HN 0.441 nan 8.240 nan 0.000 0.421 36 T N 2.460 116.924 114.554 -0.150 0.000 2.665 36 T HA -0.054 4.296 4.350 0.000 0.000 0.268 36 T C 1.963 176.596 174.700 -0.111 0.000 1.035 36 T CA 1.108 63.114 62.100 -0.156 0.000 1.151 36 T CB -0.557 68.246 68.868 -0.110 0.000 0.862 36 T HN 0.270 nan 8.240 nan 0.000 0.438 37 L N 0.523 121.712 121.223 -0.057 0.000 2.201 37 L HA 0.005 4.345 4.340 0.000 0.000 0.212 37 L C 2.513 179.438 176.870 0.092 0.000 1.105 37 L CA 0.632 55.450 54.840 -0.036 0.000 0.775 37 L CB -0.576 41.397 42.059 -0.144 0.000 0.913 37 L HN 0.282 nan 8.230 nan 0.000 0.440 38 L N 0.186 121.481 121.223 0.121 0.000 2.044 38 L HA -0.178 4.162 4.340 0.000 0.000 0.205 38 L C 2.463 179.312 176.870 -0.035 0.000 1.075 38 L CA 1.682 56.560 54.840 0.064 0.000 0.747 38 L CB -0.322 41.597 42.059 -0.233 0.000 0.903 38 L HN 0.264 nan 8.230 nan 0.000 0.435 39 L N -0.231 120.919 121.223 -0.121 0.000 2.079 39 L HA -0.246 4.094 4.340 0.000 0.000 0.210 39 L C 2.748 179.587 176.870 -0.051 0.000 1.081 39 L CA 1.188 55.954 54.840 -0.123 0.000 0.752 39 L CB -0.552 41.355 42.059 -0.253 0.000 0.896 39 L HN 0.303 nan 8.230 nan 0.000 0.433 40 R N 0.641 121.106 120.500 -0.058 0.000 2.066 40 R HA -0.092 4.248 4.340 0.000 0.000 0.232 40 R C 2.281 178.575 176.300 -0.009 0.000 1.131 40 R CA 1.581 57.653 56.100 -0.047 0.000 0.955 40 R CB -0.553 29.698 30.300 -0.080 0.000 0.851 40 R HN 0.264 nan 8.270 nan 0.000 0.432 41 A N 0.739 123.564 122.820 0.009 0.000 1.883 41 A HA -0.149 4.171 4.320 0.000 0.000 0.217 41 A C 2.060 179.650 177.584 0.010 0.000 1.186 41 A CA 1.618 53.673 52.037 0.029 0.000 0.624 41 A CB -0.827 18.290 19.000 0.194 0.000 0.822 41 A HN 0.380 nan 8.150 nan 0.000 0.444 42 L N -0.653 120.591 121.223 0.035 0.000 2.046 42 L HA -0.162 4.178 4.340 0.000 0.000 0.208 42 L C 2.350 179.242 176.870 0.036 0.000 1.077 42 L CA 2.875 57.743 54.840 0.048 0.000 0.747 42 L CB -0.976 41.126 42.059 0.071 0.000 0.896 42 L HN 0.669 nan 8.230 nan 0.000 0.432 43 H N -0.960 118.076 119.070 -0.057 0.000 2.319 43 H HA -0.173 4.383 4.556 0.000 0.000 0.299 43 H C 2.113 177.384 175.328 -0.095 0.000 1.092 43 H CA 2.389 58.395 56.048 -0.069 0.000 1.302 43 H CB -0.234 29.480 29.762 -0.080 0.000 1.373 43 H HN 0.375 nan 8.280 nan 0.000 0.497 44 L N -0.382 120.744 121.223 -0.163 0.000 2.046 44 L HA -0.175 4.166 4.340 0.000 0.000 0.208 44 L C 2.507 179.231 176.870 -0.243 0.000 1.077 44 L CA 1.708 56.347 54.840 -0.335 0.000 0.747 44 L CB -0.548 41.086 42.059 -0.708 0.000 0.896 44 L HN 0.426 nan 8.230 nan 0.000 0.432 45 T N -0.223 114.267 114.554 -0.106 0.000 2.674 45 T HA -0.170 4.180 4.350 0.000 0.000 0.265 45 T C 1.919 176.683 174.700 0.107 0.000 1.039 45 T CA 1.718 63.859 62.100 0.068 0.000 1.150 45 T CB -0.452 68.446 68.868 0.049 0.000 0.864 45 T HN 0.346 nan 8.240 nan 0.000 0.427 46 V N 0.375 120.335 119.914 0.076 0.000 2.594 46 V HA -0.094 4.026 4.120 0.000 0.000 0.253 46 V C 2.203 178.280 176.094 -0.028 0.000 1.069 46 V CA 1.840 64.179 62.300 0.065 0.000 1.082 46 V CB -1.097 30.668 31.823 -0.097 0.000 0.680 46 V HN 0.319 nan 8.190 nan 0.000 0.469 47 S N 0.012 115.639 115.700 -0.121 0.000 2.522 47 S HA -0.002 4.468 4.470 0.000 0.000 0.227 47 S C 1.716 176.288 174.600 -0.047 0.000 0.986 47 S CA 1.160 59.286 58.200 -0.122 0.000 0.929 47 S CB -0.247 62.806 63.200 -0.245 0.000 0.769 47 S HN 0.783 nan 8.310 nan 0.000 0.529 48 E N 0.357 120.561 120.200 0.006 0.000 2.442 48 E HA 0.143 4.493 4.350 0.000 0.000 0.195 48 E C -0.192 176.471 176.600 0.104 0.000 1.030 48 E CA 0.250 56.699 56.400 0.080 0.000 0.869 48 E CB 0.218 29.990 29.700 0.119 0.000 0.857 48 E HN 0.462 nan 8.360 nan 0.000 0.505 49 I N 2.297 122.849 120.570 -0.031 0.000 2.268 49 I HA 0.014 4.184 4.170 0.000 0.000 0.290 49 I C 0.504 176.496 176.117 -0.209 0.000 1.125 49 I CA -0.414 60.731 61.300 -0.259 0.000 1.236 49 I CB 0.709 38.221 38.000 -0.815 0.000 1.469 49 I HN -0.131 nan 8.210 nan 0.000 0.512 50 D N 3.057 123.390 120.400 -0.111 0.000 2.133 50 D HA -0.219 4.421 4.640 0.000 0.000 0.192 50 D C 2.015 178.312 176.300 -0.006 0.000 1.001 50 D CA 1.510 55.458 54.000 -0.086 0.000 0.844 50 D CB 0.173 40.888 40.800 -0.141 0.000 0.944 50 D HN 0.382 nan 8.370 nan 0.000 0.447 51 L N 0.140 121.289 121.223 -0.124 0.000 2.261 51 L HA -0.085 4.256 4.340 0.000 0.000 0.216 51 L C 1.892 178.864 176.870 0.170 0.000 1.114 51 L CA 1.112 55.904 54.840 -0.079 0.000 0.777 51 L CB -0.654 41.191 42.059 -0.357 0.000 0.910 51 L HN 0.081 nan 8.230 nan 0.000 0.440 52 F N -1.225 118.700 119.950 -0.042 0.000 2.699 52 F HA -0.072 4.455 4.527 0.000 0.000 0.298 52 F C 1.888 177.681 175.800 -0.013 0.000 1.154 52 F CA -0.132 57.849 58.000 -0.032 0.000 1.457 52 F CB -0.018 38.986 39.000 0.007 0.000 1.106 52 F HN 0.075 nan 8.300 nan 0.000 0.585 53 R N 0.256 120.891 120.500 0.225 0.000 2.362 53 R HA 0.234 4.574 4.340 0.000 0.000 0.227 53 R C 0.651 176.965 176.300 0.024 0.000 0.905 53 R CA -0.198 56.011 56.100 0.181 0.000 1.067 53 R CB 0.267 30.728 30.300 0.267 0.000 1.078 53 R HN -0.016 nan 8.270 nan 0.000 0.516 54 A N 1.886 124.622 122.820 -0.140 0.000 2.462 54 A HA 0.294 4.614 4.320 0.000 0.000 0.243 54 A C -0.028 177.071 177.584 -0.808 0.000 1.076 54 A CA 0.226 51.825 52.037 -0.729 0.000 0.773 54 A CB 0.361 18.868 19.000 -0.821 0.000 1.010 54 A HN 0.211 nan 8.150 nan 0.000 0.493 55 R N 0.277 120.031 120.500 -1.244 0.000 2.698 55 R HA 0.528 4.868 4.340 0.000 0.000 0.275 55 R C -1.881 173.639 176.300 -1.299 0.000 1.001 55 R CA -0.467 54.959 56.100 -1.123 0.000 0.896 55 R CB 1.830 31.425 30.300 -1.174 0.000 1.218 55 R HN 0.635 nan 8.270 nan 0.000 0.462 56 F N 0.777 120.520 119.950 -0.345 0.000 2.458 56 F HA 0.288 4.815 4.527 0.000 0.000 0.336 56 F C 1.122 176.979 175.800 0.095 0.000 1.114 56 F CA -0.601 57.287 58.000 -0.187 0.000 0.987 56 F CB 1.883 40.676 39.000 -0.345 0.000 1.130 56 F HN 0.502 nan 8.300 nan 0.000 0.458 57 S N 1.869 117.725 115.700 0.260 0.000 2.633 57 S HA 0.449 4.919 4.470 0.000 0.000 0.257 57 S C 1.291 176.014 174.600 0.204 0.000 1.265 57 S CA -0.161 58.132 58.200 0.154 0.000 0.980 57 S CB 0.896 64.087 63.200 -0.016 0.000 1.017 57 S HN 0.778 nan 8.310 nan 0.000 0.577 58 A N 0.018 122.943 122.820 0.174 0.000 1.930 58 A HA 0.004 4.325 4.320 0.000 0.000 0.217 58 A C 1.995 179.771 177.584 0.321 0.000 1.175 58 A CA 1.188 53.375 52.037 0.250 0.000 0.627 58 A CB -0.947 18.142 19.000 0.148 0.000 0.815 58 A HN 0.809 nan 8.150 nan 0.000 0.443 59 Q N -0.853 119.064 119.800 0.194 0.000 2.282 59 Q HA 0.370 4.710 4.340 0.000 0.000 0.205 59 Q C 0.918 176.997 176.000 0.132 0.000 0.915 59 Q CA 0.594 56.511 55.803 0.191 0.000 0.949 59 Q CB -0.075 28.716 28.738 0.088 0.000 1.035 59 Q HN 0.807 nan 8.270 nan 0.000 0.484 60 G N 0.968 109.767 108.800 -0.002 0.000 2.179 60 G HA2 -0.368 3.592 3.960 0.000 0.000 0.257 60 G HA3 -0.368 3.592 3.960 0.000 0.000 0.257 60 G C -0.196 174.421 174.900 -0.472 0.000 1.010 60 G CA 0.386 44.968 45.100 -0.863 0.000 0.736 60 G HN 0.452 nan 8.290 nan 0.000 0.513 61 E N -0.183 119.909 120.200 -0.180 0.000 2.259 61 E HA 0.503 4.853 4.350 0.000 0.000 0.281 61 E C 0.456 176.992 176.600 -0.105 0.000 1.027 61 E CA -0.906 55.429 56.400 -0.109 0.000 0.838 61 E CB 0.574 30.233 29.700 -0.068 0.000 1.066 61 E HN 0.394 nan 8.360 nan 0.000 0.401 62 L N 7.015 128.116 121.223 -0.204 0.000 2.290 62 L HA 0.339 4.679 4.340 0.000 0.000 0.284 62 L C -1.176 175.362 176.870 -0.553 0.000 1.078 62 L CA -0.490 53.994 54.840 -0.593 0.000 0.815 62 L CB 0.087 41.778 42.059 -0.613 0.000 1.162 62 L HN 0.641 nan 8.230 nan 0.000 0.435 63 Y N 2.069 121.855 120.300 -0.858 0.000 2.662 63 Y HA 0.691 5.242 4.550 0.000 0.000 0.335 63 Y C -1.635 173.686 175.900 -0.964 0.000 1.066 63 Y CA -1.578 56.078 58.100 -0.739 0.000 1.116 63 Y CB 0.772 39.033 38.460 -0.332 0.000 1.308 63 Y HN 0.434 nan 8.280 nan 0.000 0.502 64 W N 1.322 122.559 121.300 -0.104 0.000 2.529 64 W HA 0.422 5.083 4.660 0.000 0.000 0.321 64 W C -0.109 176.355 176.519 -0.092 0.000 1.047 64 W CA -0.632 56.615 57.345 -0.162 0.000 1.216 64 W CB 0.893 30.304 29.460 -0.082 0.000 1.357 64 W HN 0.535 nan 8.180 nan 0.000 0.489 65 H N 5.032 124.079 119.070 -0.038 0.000 2.629 65 H HA 0.066 4.622 4.556 0.000 0.000 0.357 65 H C -1.228 174.064 175.328 -0.059 0.000 1.121 65 H CA -1.360 54.637 56.048 -0.085 0.000 1.406 65 H CB 1.940 31.641 29.762 -0.102 0.000 1.456 65 H HN 0.223 nan 8.280 nan 0.000 0.579 66 P HA -0.030 nan 4.420 nan 0.000 0.231 66 P C -0.268 176.907 177.300 -0.209 0.000 1.168 66 P CA 0.776 63.614 63.100 -0.438 0.000 0.779 66 P CB 0.359 31.648 31.700 -0.686 0.000 0.844 67 F N 0.730 120.609 119.950 -0.118 0.000 2.470 67 F HA 0.294 4.821 4.527 0.000 0.000 0.329 67 F C 1.428 177.317 175.800 0.149 0.000 1.072 67 F CA -1.450 56.574 58.000 0.039 0.000 0.989 67 F CB 1.170 40.201 39.000 0.053 0.000 1.193 67 F HN -0.229 nan 8.300 nan 0.000 0.481 68 S N 1.377 117.255 115.700 0.296 0.000 2.584 68 S HA 0.311 4.782 4.470 0.000 0.000 0.270 68 S C -2.683 172.037 174.600 0.200 0.000 1.346 68 S CA -1.261 57.044 58.200 0.175 0.000 1.018 68 S CB 0.270 63.491 63.200 0.034 0.000 0.899 68 S HN 0.253 nan 8.310 nan 0.000 0.542 69 P HA 0.334 nan 4.420 nan 0.000 0.271 69 P C -2.416 174.959 177.300 0.124 0.000 1.218 69 P CA -1.037 62.158 63.100 0.158 0.000 0.780 69 P CB -0.465 31.347 31.700 0.187 0.000 0.901 70 P HA 0.257 nan 4.420 nan 0.000 0.274 70 P C -0.552 176.827 177.300 0.132 0.000 1.237 70 P CA 0.148 63.322 63.100 0.124 0.000 0.793 70 P CB 0.527 32.294 31.700 0.113 0.000 0.977 71 I N 1.753 122.393 120.570 0.116 0.000 2.382 71 I HA 0.218 4.388 4.170 0.000 0.000 0.286 71 I C -0.402 175.774 176.117 0.098 0.000 1.002 71 I CA -0.590 60.784 61.300 0.123 0.000 1.135 71 I CB 1.384 39.448 38.000 0.108 0.000 1.288 71 I HN 0.107 nan 8.210 nan 0.000 0.448 72 D N 6.707 127.151 120.400 0.074 0.000 2.359 72 D HA 0.174 4.814 4.640 0.000 0.000 0.230 72 D C -0.938 175.340 176.300 -0.037 0.000 1.118 72 D CA -0.004 54.009 54.000 0.020 0.000 0.844 72 D CB 1.787 42.584 40.800 -0.005 0.000 1.059 72 D HN 0.314 nan 8.370 nan 0.000 0.493 73 Y N 1.673 121.902 120.300 -0.117 0.000 2.377 73 Y HA 0.333 4.883 4.550 0.000 0.000 0.339 73 Y C -0.880 174.954 175.900 -0.110 0.000 1.011 73 Y CA -0.518 57.492 58.100 -0.151 0.000 1.093 73 Y CB 1.357 39.770 38.460 -0.078 0.000 1.201 73 Y HN 0.201 nan 8.280 nan 0.000 0.455 74 Q N 4.393 123.561 119.800 -1.054 0.000 2.305 74 Q HA 0.198 4.538 4.340 0.000 0.000 0.271 74 Q C -1.880 173.629 176.000 -0.819 0.000 1.046 74 Q CA -0.998 54.364 55.803 -0.735 0.000 0.798 74 Q CB 2.192 30.808 28.738 -0.203 0.000 1.286 74 Q HN 0.626 nan 8.270 nan 0.000 0.435 75 D N 3.446 123.497 120.400 -0.582 0.000 2.380 75 D HA 0.167 4.807 4.640 0.000 0.000 0.230 75 D C 0.037 176.287 176.300 -0.082 0.000 1.154 75 D CA -0.030 53.846 54.000 -0.208 0.000 0.859 75 D CB 0.842 41.643 40.800 0.002 0.000 1.045 75 D HN 0.591 nan 8.370 nan 0.000 0.495 76 L N 2.646 123.846 121.223 -0.038 0.000 2.667 76 L HA 0.055 4.396 4.340 0.000 0.000 0.232 76 L C 2.085 178.950 176.870 -0.010 0.000 1.138 76 L CA -0.206 54.621 54.840 -0.022 0.000 0.921 76 L CB 0.067 42.111 42.059 -0.024 0.000 1.180 76 L HN 0.222 nan 8.230 nan 0.000 0.487 77 S N 1.294 116.997 115.700 0.005 0.000 2.374 77 S HA -0.243 4.228 4.470 0.000 0.000 0.227 77 S C 2.309 176.921 174.600 0.020 0.000 1.037 77 S CA 2.154 60.366 58.200 0.021 0.000 1.024 77 S CB -0.397 62.833 63.200 0.049 0.000 0.861 77 S HN 0.518 nan 8.310 nan 0.000 0.456 78 I N 1.045 121.625 120.570 0.016 0.000 2.761 78 I HA 0.189 4.359 4.170 0.000 0.000 0.261 78 I C 1.257 177.378 176.117 0.005 0.000 1.198 78 I CA 1.324 62.632 61.300 0.013 0.000 1.482 78 I CB -2.387 35.621 38.000 0.012 0.000 1.100 78 I HN 0.663 nan 8.210 nan 0.000 0.445 79 H N -0.538 118.531 119.070 -0.001 0.000 2.562 79 H HA 0.687 5.244 4.556 0.000 0.000 0.352 79 H C 1.068 176.392 175.328 -0.006 0.000 1.125 79 H CA 0.137 56.181 56.048 -0.006 0.000 1.379 79 H CB 0.638 30.392 29.762 -0.014 0.000 1.464 79 H HN 0.426 nan 8.280 nan 0.000 0.563 80 L N 0.808 122.028 121.223 -0.005 0.000 2.127 80 L HA 0.032 4.372 4.340 0.000 0.000 0.203 80 L C 1.623 178.489 176.870 -0.007 0.000 1.080 80 L CA 0.867 55.705 54.840 -0.004 0.000 0.768 80 L CB 0.005 42.062 42.059 -0.003 0.000 0.924 80 L HN 0.713 nan 8.230 nan 0.000 0.444 81 E N 1.065 121.258 120.200 -0.011 0.000 2.346 81 E HA 0.152 4.502 4.350 0.000 0.000 0.317 81 E C 0.815 177.401 176.600 -0.024 0.000 1.404 81 E CA 0.217 56.608 56.400 -0.014 0.000 1.534 81 E CB 0.291 29.981 29.700 -0.016 0.000 1.309 81 E HN 0.285 nan 8.360 nan 0.000 0.499 82 A N 2.562 125.369 122.820 -0.021 0.000 1.839 82 A HA -0.197 4.123 4.320 0.000 0.000 0.213 82 A C 1.763 179.315 177.584 -0.052 0.000 1.274 82 A CA 1.388 53.403 52.037 -0.036 0.000 0.608 82 A CB -0.481 18.505 19.000 -0.022 0.000 0.920 82 A HN 0.581 nan 8.150 nan 0.000 0.465 83 E N -0.029 120.170 120.200 -0.001 0.000 2.086 83 E HA -0.206 4.144 4.350 0.000 0.000 0.200 83 E C -0.362 176.320 176.600 0.137 0.000 1.012 83 E CA 1.701 58.151 56.400 0.083 0.000 0.812 83 E CB -1.482 28.322 29.700 0.173 0.000 0.743 83 E HN 0.452 nan 8.360 nan 0.000 0.453 84 P HA -0.163 nan 4.420 nan 0.000 0.216 84 P C 1.491 178.789 177.300 -0.003 0.000 1.150 84 P CA 0.860 63.996 63.100 0.060 0.000 0.837 84 P CB 0.029 31.737 31.700 0.014 0.000 0.786 85 L N -0.862 120.320 121.223 -0.068 0.000 2.093 85 L HA -0.090 4.250 4.340 0.000 0.000 0.208 85 L C 2.107 178.807 176.870 -0.282 0.000 1.085 85 L CA 2.047 56.812 54.840 -0.125 0.000 0.755 85 L CB -1.801 40.194 42.059 -0.108 0.000 0.904 85 L HN -0.080 nan 8.230 nan 0.000 0.435 86 A N -1.006 121.529 122.820 -0.474 0.000 1.835 86 A HA -0.244 4.076 4.320 0.000 0.000 0.215 86 A C 2.042 179.173 177.584 -0.754 0.000 1.199 86 A CA 1.676 53.071 52.037 -1.070 0.000 0.615 86 A CB -1.300 16.982 19.000 -1.197 0.000 0.838 86 A HN 0.505 nan 8.150 nan 0.000 0.444 87 W N -0.209 120.879 121.300 -0.353 0.000 2.331 87 W HA -0.157 4.503 4.660 0.000 0.000 0.291 87 W C 2.516 178.914 176.519 -0.202 0.000 1.214 87 W CA 1.657 58.861 57.345 -0.236 0.000 1.228 87 W CB -0.177 29.189 29.460 -0.156 0.000 1.135 87 W HN 0.351 nan 8.180 nan 0.000 0.537 88 R N 0.705 121.211 120.500 0.011 0.000 2.096 88 R HA -0.198 4.142 4.340 0.000 0.000 0.235 88 R C 1.884 178.146 176.300 -0.064 0.000 1.127 88 R CA 1.787 57.877 56.100 -0.016 0.000 0.968 88 R CB -0.322 29.962 30.300 -0.026 0.000 0.861 88 R HN 0.301 nan 8.270 nan 0.000 0.440 89 Q N -0.235 119.489 119.800 -0.126 0.000 2.269 89 Q HA -0.015 4.325 4.340 0.000 0.000 0.201 89 Q C 2.105 177.997 176.000 -0.181 0.000 0.946 89 Q CA 0.846 56.588 55.803 -0.101 0.000 0.877 89 Q CB 0.203 28.924 28.738 -0.029 0.000 0.963 89 Q HN 0.419 nan 8.270 nan 0.000 0.472 90 I N 0.646 121.031 120.570 -0.307 0.000 2.163 90 I HA -0.239 3.932 4.170 0.000 0.000 0.240 90 I C 2.382 178.315 176.117 -0.306 0.000 1.081 90 I CA 1.072 62.026 61.300 -0.577 0.000 1.353 90 I CB -0.119 37.502 38.000 -0.632 0.000 1.054 90 I HN 0.159 nan 8.210 nan 0.000 0.407 91 E N 1.070 121.212 120.200 -0.097 0.000 2.118 91 E HA -0.315 4.035 4.350 0.000 0.000 0.195 91 E C 1.980 178.566 176.600 -0.022 0.000 0.992 91 E CA 1.597 57.991 56.400 -0.010 0.000 0.804 91 E CB -0.205 29.512 29.700 0.029 0.000 0.741 91 E HN 0.340 nan 8.360 nan 0.000 0.458 92 Q N 0.570 120.345 119.800 -0.042 0.000 2.124 92 Q HA -0.175 4.166 4.340 0.000 0.000 0.202 92 Q C 1.597 177.592 176.000 -0.009 0.000 0.977 92 Q CA 2.280 58.071 55.803 -0.021 0.000 0.850 92 Q CB -0.546 28.179 28.738 -0.023 0.000 0.901 92 Q HN 0.431 nan 8.270 nan 0.000 0.429 93 D N -1.108 119.275 120.400 -0.028 0.000 2.137 93 D HA -0.067 4.573 4.640 0.000 0.000 0.202 93 D C 1.704 178.046 176.300 0.071 0.000 0.970 93 D CA 0.869 54.887 54.000 0.031 0.000 0.837 93 D CB -0.039 40.807 40.800 0.077 0.000 0.981 93 D HN 0.355 nan 8.370 nan 0.000 0.475 94 L N -0.030 121.238 121.223 0.075 0.000 2.191 94 L HA -0.100 4.241 4.340 0.000 0.000 0.212 94 L C 1.693 178.594 176.870 0.052 0.000 1.103 94 L CA 0.994 55.890 54.840 0.093 0.000 0.769 94 L CB -0.236 41.882 42.059 0.100 0.000 0.908 94 L HN 0.134 nan 8.230 nan 0.000 0.438 95 Q N 0.282 120.103 119.800 0.036 0.000 2.217 95 Q HA 0.065 4.405 4.340 0.000 0.000 0.226 95 Q C 0.306 176.325 176.000 0.031 0.000 0.875 95 Q CA -0.283 55.537 55.803 0.029 0.000 0.974 95 Q CB 0.278 29.027 28.738 0.020 0.000 1.079 95 Q HN 0.408 nan 8.270 nan 0.000 0.463 96 R N -0.365 120.158 120.500 0.038 0.000 2.726 96 R HA 0.163 4.503 4.340 0.000 0.000 0.272 96 R C 0.906 177.235 176.300 0.047 0.000 1.097 96 R CA 0.635 56.759 56.100 0.039 0.000 1.198 96 R CB 0.546 30.870 30.300 0.040 0.000 1.114 96 R HN 0.027 nan 8.270 nan 0.000 0.550 97 S N 0.075 115.806 115.700 0.051 0.000 2.355 97 S HA -0.111 4.359 4.470 0.000 0.000 0.216 97 S C 0.913 175.559 174.600 0.077 0.000 1.037 97 S CA 0.615 58.854 58.200 0.066 0.000 0.955 97 S CB -0.501 62.737 63.200 0.064 0.000 0.877 97 S HN 0.847 nan 8.310 nan 0.000 0.488 98 S N 2.050 117.788 115.700 0.064 0.000 3.410 98 S HA -0.177 4.293 4.470 0.000 0.000 0.369 98 S C 0.252 174.895 174.600 0.073 0.000 0.961 98 S CA 0.798 59.033 58.200 0.058 0.000 1.248 98 S CB -2.419 60.809 63.200 0.047 0.000 0.914 98 S HN 1.072 nan 8.310 nan 0.000 0.497 99 T N 3.018 117.631 114.554 0.098 0.000 2.734 99 T HA 0.113 4.463 4.350 0.000 0.000 0.269 99 T C 1.751 176.437 174.700 -0.022 0.000 0.964 99 T CA 0.511 62.698 62.100 0.145 0.000 1.226 99 T CB -0.501 68.487 68.868 0.200 0.000 0.910 99 T HN 0.562 nan 8.240 nan 0.000 0.534 100 L N 4.380 125.477 121.223 -0.209 0.000 2.397 100 L HA -0.244 4.096 4.340 0.000 0.000 0.225 100 L C 1.473 178.334 176.870 -0.015 0.000 1.116 100 L CA 1.451 56.161 54.840 -0.217 0.000 0.850 100 L CB -0.729 41.038 42.059 -0.487 0.000 0.919 100 L HN 0.723 nan 8.230 nan 0.000 0.453 101 I N 1.660 122.245 120.570 0.025 0.000 2.741 101 I HA -0.123 4.047 4.170 0.000 0.000 0.288 101 I C 0.380 176.570 176.117 0.122 0.000 1.192 101 I CA 0.284 61.680 61.300 0.160 0.000 1.426 101 I CB -0.044 38.080 38.000 0.206 0.000 1.367 101 I HN 0.305 nan 8.210 nan 0.000 0.563 102 D N 4.472 124.963 120.400 0.152 0.000 2.704 102 D HA -0.178 4.462 4.640 0.000 0.000 0.232 102 D C -0.114 176.209 176.300 0.039 0.000 1.183 102 D CA 0.905 54.987 54.000 0.135 0.000 0.647 102 D CB -0.552 40.341 40.800 0.155 0.000 1.013 102 D HN 0.700 nan 8.370 nan 0.000 0.415 103 A N 0.008 122.814 122.820 -0.024 0.000 2.539 103 A HA 0.671 4.991 4.320 0.000 0.000 0.296 103 A C -2.694 174.819 177.584 -0.119 0.000 1.073 103 A CA -1.467 50.538 52.037 -0.053 0.000 0.700 103 A CB 1.687 20.680 19.000 -0.013 0.000 1.296 103 A HN -0.157 nan 8.150 nan 0.000 0.405 104 P HA 0.096 nan 4.420 nan 0.000 0.263 104 P C 0.555 177.779 177.300 -0.126 0.000 1.195 104 P CA 0.113 63.117 63.100 -0.159 0.000 0.762 104 P CB 0.388 32.020 31.700 -0.113 0.000 0.799 105 I N 2.953 123.436 120.570 -0.145 0.000 3.111 105 I HA -0.048 4.122 4.170 0.000 0.000 0.272 105 I C 0.864 176.861 176.117 -0.201 0.000 1.268 105 I CA 1.218 62.442 61.300 -0.127 0.000 1.467 105 I CB -0.169 37.768 38.000 -0.106 0.000 1.087 105 I HN 0.393 nan 8.210 nan 0.000 0.467 106 T N -3.555 110.839 114.554 -0.266 0.000 2.831 106 T HA 0.691 5.041 4.350 0.000 0.000 0.287 106 T C -0.381 174.100 174.700 -0.365 0.000 1.070 106 T CA -0.639 61.190 62.100 -0.451 0.000 1.010 106 T CB 1.665 70.057 68.868 -0.795 0.000 1.264 106 T HN -0.042 nan 8.240 nan 0.000 0.532 107 S N -0.347 114.993 115.700 -0.600 0.000 2.536 107 S HA 0.539 5.009 4.470 0.000 0.000 0.271 107 S C -2.011 172.139 174.600 -0.751 0.000 1.134 107 S CA -0.734 57.230 58.200 -0.394 0.000 0.897 107 S CB 0.931 64.066 63.200 -0.109 0.000 1.094 107 S HN 0.833 nan 8.310 nan 0.000 0.473 108 H N 3.095 122.150 119.070 -0.024 0.000 2.924 108 H HA 0.410 4.966 4.556 0.000 0.000 0.333 108 H C -1.030 174.333 175.328 0.059 0.000 0.979 108 H CA -0.549 55.504 56.048 0.009 0.000 1.326 108 H CB 1.573 31.355 29.762 0.033 0.000 1.600 108 H HN 0.584 nan 8.280 nan 0.000 0.520 109 Q N 1.960 121.861 119.800 0.169 0.000 2.356 109 Q HA 0.573 4.913 4.340 0.000 0.000 0.270 109 Q C -0.933 174.993 176.000 -0.123 0.000 1.058 109 Q CA -0.912 54.884 55.803 -0.011 0.000 0.802 109 Q CB 3.596 32.363 28.738 0.048 0.000 1.303 109 Q HN 0.283 nan 8.270 nan 0.000 0.444 110 V N 2.724 122.434 119.914 -0.340 0.000 2.588 110 V HA 0.504 4.624 4.120 0.000 0.000 0.304 110 V C -1.506 174.323 176.094 -0.441 0.000 1.042 110 V CA -0.736 61.452 62.300 -0.187 0.000 0.877 110 V CB 1.344 33.215 31.823 0.079 0.000 0.996 110 V HN 0.657 nan 8.190 nan 0.000 0.425 111 Y N 2.975 123.334 120.300 0.099 0.000 2.373 111 Y HA 0.584 5.134 4.550 0.000 0.000 0.336 111 Y C 0.163 176.125 175.900 0.103 0.000 0.979 111 Y CA -0.679 57.426 58.100 0.008 0.000 1.080 111 Y CB 1.848 40.244 38.460 -0.108 0.000 1.190 111 Y HN 0.497 nan 8.280 nan 0.000 0.446 112 R N 4.120 124.765 120.500 0.242 0.000 2.207 112 R HA 0.429 4.769 4.340 0.000 0.000 0.334 112 R C -0.357 175.921 176.300 -0.037 0.000 1.013 112 R CA -0.101 56.050 56.100 0.085 0.000 0.858 112 R CB 0.503 30.981 30.300 0.296 0.000 1.094 112 R HN 0.971 nan 8.270 nan 0.000 0.457 113 L N 2.076 123.214 121.223 -0.141 0.000 2.145 113 L HA 0.122 4.462 4.340 0.000 0.000 0.201 113 L C 0.827 177.645 176.870 -0.086 0.000 1.075 113 L CA 0.509 55.297 54.840 -0.086 0.000 0.773 113 L CB -0.120 41.893 42.059 -0.077 0.000 0.936 113 L HN 0.665 nan 8.230 nan 0.000 0.451 114 S N -2.522 113.084 115.700 -0.157 0.000 2.720 114 S HA 0.201 4.671 4.470 0.000 0.000 0.287 114 S C 0.734 175.236 174.600 -0.163 0.000 1.168 114 S CA -0.521 57.623 58.200 -0.093 0.000 0.832 114 S CB 0.749 63.881 63.200 -0.113 0.000 1.166 114 S HN 0.325 nan 8.310 nan 0.000 0.493 115 H N -0.375 118.666 119.070 -0.048 0.000 2.518 115 H HA 0.075 4.631 4.556 0.000 0.000 0.289 115 H C 1.439 176.769 175.328 0.004 0.000 1.051 115 H CA 1.657 57.704 56.048 -0.001 0.000 1.280 115 H CB -0.382 29.399 29.762 0.032 0.000 1.380 115 H HN 0.530 nan 8.280 nan 0.000 0.566 116 S N -0.253 115.044 115.700 -0.671 0.000 2.511 116 S HA 0.045 4.515 4.470 0.000 0.000 0.214 116 S C 0.171 174.635 174.600 -0.226 0.000 0.997 116 S CA -0.447 57.514 58.200 -0.397 0.000 0.908 116 S CB 0.309 63.219 63.200 -0.483 0.000 0.803 116 S HN 0.297 nan 8.310 nan 0.000 0.504 117 E N 1.626 121.640 120.200 -0.310 0.000 2.165 117 E HA 0.411 4.761 4.350 0.000 0.000 0.266 117 E C -1.477 174.878 176.600 -0.408 0.000 0.889 117 E CA -0.330 55.931 56.400 -0.232 0.000 0.756 117 E CB 1.462 31.076 29.700 -0.144 0.000 1.131 117 E HN 0.475 nan 8.360 nan 0.000 0.411 118 H N 0.715 119.771 119.070 -0.023 0.000 2.637 118 H HA 0.543 5.099 4.556 0.000 0.000 0.363 118 H C -1.007 174.322 175.328 0.001 0.000 1.131 118 H CA -0.834 55.209 56.048 -0.008 0.000 1.183 118 H CB 2.019 31.741 29.762 -0.066 0.000 1.637 118 H HN 0.192 nan 8.280 nan 0.000 0.531 119 L N 3.667 124.988 121.223 0.164 0.000 2.376 119 L HA 0.533 4.873 4.340 0.000 0.000 0.275 119 L C -1.583 175.375 176.870 0.146 0.000 0.987 119 L CA -0.257 54.650 54.840 0.112 0.000 0.828 119 L CB 0.855 42.926 42.059 0.021 0.000 1.249 119 L HN 0.602 nan 8.230 nan 0.000 0.409 120 I N 5.118 125.756 120.570 0.112 0.000 2.404 120 I HA 0.321 4.491 4.170 0.000 0.000 0.293 120 I C -1.389 174.848 176.117 0.199 0.000 0.992 120 I CA -0.760 60.620 61.300 0.134 0.000 1.149 120 I CB 1.610 39.668 38.000 0.097 0.000 1.315 120 I HN 0.569 nan 8.210 nan 0.000 0.446 121 Y N 5.362 125.695 120.300 0.056 0.000 2.341 121 Y HA 0.557 5.107 4.550 0.000 0.000 0.338 121 Y C -0.760 175.145 175.900 0.009 0.000 0.965 121 Y CA -0.534 57.583 58.100 0.027 0.000 1.108 121 Y CB 1.761 40.221 38.460 -0.000 0.000 1.180 121 Y HN 0.471 nan 8.280 nan 0.000 0.458 122 T N 7.663 121.857 114.554 -0.600 0.000 2.881 122 T HA 0.445 4.795 4.350 0.000 0.000 0.291 122 T C -1.190 172.968 174.700 -0.903 0.000 0.990 122 T CA -0.825 60.876 62.100 -0.665 0.000 0.976 122 T CB 0.942 69.617 68.868 -0.321 0.000 0.970 122 T HN 0.660 nan 8.240 nan 0.000 0.438 123 R N 1.993 121.918 120.500 -0.958 0.000 2.686 123 R HA 0.850 5.190 4.340 0.000 0.000 0.286 123 R C -1.863 174.059 176.300 -0.630 0.000 0.969 123 R CA -0.640 55.053 56.100 -0.680 0.000 0.898 123 R CB 1.644 31.649 30.300 -0.491 0.000 1.183 123 R HN 0.753 nan 8.270 nan 0.000 0.456 124 A N 2.771 125.306 122.820 -0.474 0.000 2.594 124 A HA 0.325 4.645 4.320 0.000 0.000 0.295 124 A C -1.728 175.718 177.584 -0.229 0.000 1.071 124 A CA -0.765 51.012 52.037 -0.433 0.000 0.685 124 A CB 1.328 19.995 19.000 -0.555 0.000 1.285 124 A HN 0.840 nan 8.150 nan 0.000 0.405 125 H N 1.304 120.230 119.070 -0.239 0.000 2.610 125 H HA 0.167 4.724 4.556 0.000 0.000 0.336 125 H C 0.953 176.154 175.328 -0.210 0.000 1.087 125 H CA 0.406 56.359 56.048 -0.159 0.000 1.405 125 H CB 0.688 30.384 29.762 -0.109 0.000 1.460 125 H HN 0.854 nan 8.280 nan 0.000 0.538 126 H N 4.757 123.653 119.070 -0.289 0.000 2.492 126 H HA -0.154 4.402 4.556 0.000 0.000 0.296 126 H C 1.944 176.907 175.328 -0.609 0.000 1.095 126 H CA 1.394 57.186 56.048 -0.427 0.000 1.281 126 H CB 0.255 29.693 29.762 -0.539 0.000 1.374 126 H HN 0.687 nan 8.280 nan 0.000 0.545 127 I N 0.952 121.450 120.570 -0.120 0.000 2.916 127 I HA -0.170 4.000 4.170 0.000 0.000 0.267 127 I C 1.554 177.620 176.117 -0.085 0.000 1.263 127 I CA 0.909 62.054 61.300 -0.257 0.000 1.471 127 I CB 0.141 38.003 38.000 -0.230 0.000 1.089 127 I HN 0.133 nan 8.210 nan 0.000 0.468 128 V N -2.495 117.381 119.914 -0.063 0.000 3.398 128 V HA 0.429 4.549 4.120 0.000 0.000 0.298 128 V C -0.250 175.822 176.094 -0.037 0.000 1.496 128 V CA -0.429 61.858 62.300 -0.021 0.000 1.044 128 V CB 0.469 32.306 31.823 0.023 0.000 0.880 128 V HN 0.106 nan 8.190 nan 0.000 0.443 129 L N 2.462 123.606 121.223 -0.131 0.000 2.565 129 L HA 0.760 5.100 4.340 0.000 0.000 0.261 129 L C -1.339 175.323 176.870 -0.347 0.000 0.932 129 L CA -0.063 54.685 54.840 -0.153 0.000 0.878 129 L CB 2.192 44.200 42.059 -0.085 0.000 1.333 129 L HN 0.458 nan 8.230 nan 0.000 0.409 130 D N 2.284 122.545 120.400 -0.232 0.000 2.588 130 D HA 0.510 5.150 4.640 0.000 0.000 0.268 130 D C 1.054 177.300 176.300 -0.091 0.000 1.176 130 D CA -0.023 53.826 54.000 -0.251 0.000 1.080 130 D CB 0.489 41.290 40.800 0.001 0.000 1.186 130 D HN 0.500 nan 8.370 nan 0.000 0.619 131 G N -1.162 107.667 108.800 0.048 0.000 2.446 131 G HA2 -0.325 3.635 3.960 0.000 0.000 0.217 131 G HA3 -0.325 3.635 3.960 0.000 0.000 0.217 131 G C 1.289 176.318 174.900 0.215 0.000 1.168 131 G CA 0.975 46.165 45.100 0.150 0.000 0.771 131 G HN 0.507 nan 8.290 nan 0.000 0.551 132 Y N 1.803 122.185 120.300 0.137 0.000 2.097 132 Y HA -0.075 4.475 4.550 0.000 0.000 0.282 132 Y C 2.928 178.830 175.900 0.004 0.000 1.152 132 Y CA 1.818 59.999 58.100 0.135 0.000 1.136 132 Y CB -0.644 37.864 38.460 0.080 0.000 0.975 132 Y HN 0.160 nan 8.280 nan 0.000 0.498 133 G N 0.174 109.054 108.800 0.132 0.000 2.574 133 G HA2 -0.413 3.547 3.960 0.000 0.000 0.220 133 G HA3 -0.413 3.547 3.960 0.000 0.000 0.220 133 G C 1.634 176.519 174.900 -0.026 0.000 1.173 133 G CA 1.539 46.635 45.100 -0.006 0.000 0.772 133 G HN 0.452 nan 8.290 nan 0.000 0.585 134 M N 0.138 119.720 119.600 -0.029 0.000 2.117 134 M HA 0.055 4.535 4.480 0.000 0.000 0.262 134 M C 2.323 178.665 176.300 0.070 0.000 1.065 134 M CA 1.470 56.749 55.300 -0.034 0.000 1.114 134 M CB -0.377 32.081 32.600 -0.237 0.000 1.361 134 M HN 0.296 nan 8.290 nan 0.000 0.408 135 M N -0.300 119.296 119.600 -0.007 0.000 2.067 135 M HA -0.200 4.280 4.480 0.000 0.000 0.260 135 M C 1.992 178.199 176.300 -0.156 0.000 1.069 135 M CA 1.913 57.156 55.300 -0.095 0.000 1.117 135 M CB -0.919 31.483 32.600 -0.329 0.000 1.334 135 M HN 0.425 nan 8.290 nan 0.000 0.407 136 L N -0.341 120.742 121.223 -0.234 0.000 2.013 136 L HA -0.277 4.064 4.340 0.000 0.000 0.212 136 L C 2.563 179.522 176.870 0.149 0.000 1.073 136 L CA 1.883 56.663 54.840 -0.101 0.000 0.753 136 L CB -1.096 40.857 42.059 -0.176 0.000 0.890 136 L HN 0.304 nan 8.230 nan 0.000 0.432 137 F N 1.244 121.199 119.950 0.008 0.000 2.065 137 F HA -0.280 4.247 4.527 0.000 0.000 0.298 137 F C 2.407 178.290 175.800 0.138 0.000 1.112 137 F CA 2.042 60.119 58.000 0.128 0.000 1.212 137 F CB -0.330 38.736 39.000 0.110 0.000 0.975 137 F HN 0.071 nan 8.300 nan 0.000 0.476 138 E N -0.319 119.887 120.200 0.010 0.000 2.058 138 E HA -0.263 4.087 4.350 0.000 0.000 0.194 138 E C 2.210 178.725 176.600 -0.141 0.000 0.997 138 E CA 1.452 57.791 56.400 -0.101 0.000 0.801 138 E CB -0.298 29.470 29.700 0.114 0.000 0.746 138 E HN 0.516 nan 8.360 nan 0.000 0.450 139 Q N 0.354 120.091 119.800 -0.105 0.000 2.084 139 Q HA -0.152 4.188 4.340 0.000 0.000 0.202 139 Q C 2.195 178.101 176.000 -0.156 0.000 0.978 139 Q CA 1.087 56.810 55.803 -0.133 0.000 0.844 139 Q CB -0.310 28.348 28.738 -0.135 0.000 0.898 139 Q HN 0.039 nan 8.270 nan 0.000 0.426 140 R N 1.138 121.561 120.500 -0.129 0.000 2.120 140 R HA -0.105 4.235 4.340 0.000 0.000 0.234 140 R C 2.046 178.230 176.300 -0.195 0.000 1.123 140 R CA 0.713 56.670 56.100 -0.239 0.000 0.975 140 R CB -0.686 29.443 30.300 -0.285 0.000 0.866 140 R HN 0.259 nan 8.270 nan 0.000 0.446 141 L N 0.202 121.312 121.223 -0.190 0.000 2.141 141 L HA -0.027 4.313 4.340 0.000 0.000 0.209 141 L C 1.933 178.839 176.870 0.060 0.000 1.094 141 L CA 2.193 56.985 54.840 -0.080 0.000 0.763 141 L CB -0.588 41.345 42.059 -0.209 0.000 0.908 141 L HN 0.348 nan 8.230 nan 0.000 0.437 142 S N -1.765 113.875 115.700 -0.100 0.000 2.414 142 S HA -0.145 4.325 4.470 0.000 0.000 0.227 142 S C 1.869 176.422 174.600 -0.078 0.000 1.022 142 S CA 0.685 58.750 58.200 -0.225 0.000 0.958 142 S CB -0.497 62.387 63.200 -0.527 0.000 0.797 142 S HN 0.628 nan 8.310 nan 0.000 0.493 143 Q N 0.454 120.177 119.800 -0.129 0.000 2.030 143 Q HA -0.146 4.194 4.340 0.000 0.000 0.204 143 Q C 2.300 178.243 176.000 -0.095 0.000 0.986 143 Q CA 1.868 57.578 55.803 -0.155 0.000 0.843 143 Q CB -0.348 28.222 28.738 -0.280 0.000 0.904 143 Q HN 0.644 nan 8.270 nan 0.000 0.420 144 H N -0.875 118.165 119.070 -0.049 0.000 2.319 144 H HA -0.178 4.378 4.556 0.000 0.000 0.299 144 H C 1.872 177.217 175.328 0.028 0.000 1.092 144 H CA 1.696 57.727 56.048 -0.028 0.000 1.302 144 H CB -0.537 29.204 29.762 -0.035 0.000 1.373 144 H HN 0.333 nan 8.280 nan 0.000 0.497 145 Y N 1.935 122.306 120.300 0.119 0.000 2.030 145 Y HA -0.341 4.209 4.550 0.000 0.000 0.274 145 Y C 2.932 178.862 175.900 0.049 0.000 1.153 145 Y CA 2.484 60.643 58.100 0.098 0.000 1.115 145 Y CB -0.451 38.140 38.460 0.218 0.000 0.969 145 Y HN 0.112 nan 8.280 nan 0.000 0.488 146 Q N 0.373 120.245 119.800 0.120 0.000 2.133 146 Q HA -0.208 4.132 4.340 0.000 0.000 0.208 146 Q C 2.270 178.222 176.000 -0.080 0.000 0.991 146 Q CA 2.621 58.422 55.803 -0.004 0.000 0.867 146 Q CB -0.835 27.921 28.738 0.030 0.000 0.911 146 Q HN 0.514 nan 8.270 nan 0.000 0.417 147 S N -0.300 115.372 115.700 -0.047 0.000 2.368 147 S HA -0.089 4.381 4.470 0.000 0.000 0.225 147 S C 1.795 176.350 174.600 -0.074 0.000 1.030 147 S CA 1.364 59.536 58.200 -0.047 0.000 0.999 147 S CB -0.291 62.903 63.200 -0.011 0.000 0.844 147 S HN 0.422 nan 8.310 nan 0.000 0.459 148 L N 0.410 121.570 121.223 -0.105 0.000 2.156 148 L HA -0.022 4.319 4.340 0.000 0.000 0.208 148 L C 2.287 179.036 176.870 -0.202 0.000 1.095 148 L CA 0.471 55.226 54.840 -0.141 0.000 0.770 148 L CB -0.390 41.580 42.059 -0.148 0.000 0.914 148 L HN 0.251 nan 8.230 nan 0.000 0.439 149 L N -0.268 120.768 121.223 -0.311 0.000 2.017 149 L HA -0.072 4.268 4.340 0.000 0.000 0.208 149 L C 1.777 178.556 176.870 -0.151 0.000 1.073 149 L CA 1.167 55.829 54.840 -0.296 0.000 0.745 149 L CB -0.275 41.553 42.059 -0.385 0.000 0.894 149 L HN 0.342 nan 8.230 nan 0.000 0.432 150 S N -1.469 114.161 115.700 -0.116 0.000 2.652 150 S HA 0.411 4.881 4.470 0.000 0.000 0.270 150 S C 1.032 175.591 174.600 -0.068 0.000 1.243 150 S CA -0.298 57.860 58.200 -0.070 0.000 0.999 150 S CB 1.098 64.268 63.200 -0.050 0.000 0.973 150 S HN 0.288 nan 8.310 nan 0.000 0.544 151 G N 0.107 108.877 108.800 -0.050 0.000 3.124 151 G HA2 0.112 4.072 3.960 0.000 0.000 0.212 151 G HA3 0.112 4.072 3.960 0.000 0.000 0.212 151 G C 0.383 175.259 174.900 -0.040 0.000 1.181 151 G CA -0.353 44.720 45.100 -0.046 0.000 0.803 151 G HN 0.714 nan 8.290 nan 0.000 0.529 152 Q N 1.180 120.956 119.800 -0.040 0.000 2.392 152 Q HA 0.207 4.547 4.340 0.000 0.000 0.262 152 Q C 0.276 176.258 176.000 -0.030 0.000 1.003 152 Q CA 0.172 55.955 55.803 -0.034 0.000 0.888 152 Q CB 0.648 29.365 28.738 -0.035 0.000 1.260 152 Q HN 0.303 nan 8.270 nan 0.000 0.435 153 T N -0.162 114.377 114.554 -0.026 0.000 2.869 153 T HA 0.349 4.699 4.350 0.000 0.000 0.295 153 T C -1.920 172.766 174.700 -0.024 0.000 0.987 153 T CA -1.561 60.527 62.100 -0.020 0.000 1.109 153 T CB 0.567 69.424 68.868 -0.019 0.000 0.932 153 T HN 0.382 nan 8.240 nan 0.000 0.518 154 P HA 0.096 nan 4.420 nan 0.000 0.269 154 P C 0.636 177.887 177.300 -0.082 0.000 1.217 154 P CA -0.266 62.809 63.100 -0.042 0.000 0.783 154 P CB 0.338 32.073 31.700 0.058 0.000 0.898 155 T N -1.454 113.012 114.554 -0.147 0.000 2.753 155 T HA 0.445 4.795 4.350 0.000 0.000 0.309 155 T C 0.602 175.217 174.700 -0.141 0.000 1.043 155 T CA -0.470 61.550 62.100 -0.132 0.000 0.964 155 T CB -0.185 68.593 68.868 -0.151 0.000 1.206 155 T HN 0.589 nan 8.240 nan 0.000 0.528 156 A N 0.352 123.101 122.820 -0.118 0.000 2.483 156 A HA 0.560 4.880 4.320 0.000 0.000 0.238 156 A C 0.836 178.322 177.584 -0.164 0.000 1.070 156 A CA -0.196 51.779 52.037 -0.102 0.000 0.770 156 A CB -0.967 17.994 19.000 -0.065 0.000 1.008 156 A HN 1.376 nan 8.150 nan 0.000 0.497 157 A N 1.496 124.243 122.820 -0.122 0.000 2.287 157 A HA 0.620 4.940 4.320 0.000 0.000 0.273 157 A C 0.001 177.524 177.584 -0.101 0.000 1.091 157 A CA -0.541 51.399 52.037 -0.162 0.000 0.817 157 A CB -0.040 18.926 19.000 -0.057 0.000 1.069 157 A HN 0.702 nan 8.150 nan 0.000 0.492 158 F N 1.284 121.215 119.950 -0.032 0.000 2.595 158 F HA 0.050 4.578 4.527 0.000 0.000 0.359 158 F C 1.416 177.202 175.800 -0.023 0.000 1.147 158 F CA 0.240 58.220 58.000 -0.033 0.000 1.341 158 F CB 0.657 39.629 39.000 -0.046 0.000 1.104 158 F HN 0.422 nan 8.300 nan 0.000 0.603 159 K N 3.509 124.028 120.400 0.199 0.000 2.276 159 K HA 0.169 4.489 4.320 0.000 0.000 0.259 159 K C -2.289 174.364 176.600 0.089 0.000 1.001 159 K CA -1.331 55.017 56.287 0.101 0.000 0.927 159 K CB 0.002 32.548 32.500 0.076 0.000 0.969 159 K HN 0.268 nan 8.250 nan 0.000 0.490 160 P HA -0.030 nan 4.420 nan 0.000 0.275 160 P C 0.334 177.668 177.300 0.056 0.000 1.227 160 P CA -0.081 63.035 63.100 0.026 0.000 0.781 160 P CB 0.411 32.099 31.700 -0.020 0.000 0.906 161 Y N 2.639 122.892 120.300 -0.079 0.000 2.207 161 Y HA -0.268 4.282 4.550 0.000 0.000 0.287 161 Y C 2.604 178.515 175.900 0.018 0.000 1.156 161 Y CA 2.210 60.295 58.100 -0.025 0.000 1.182 161 Y CB -0.572 37.855 38.460 -0.055 0.000 0.979 161 Y HN 0.295 nan 8.280 nan 0.000 0.521 162 Q N -0.118 119.648 119.800 -0.056 0.000 2.234 162 Q HA -0.158 4.183 4.340 0.000 0.000 0.206 162 Q C 2.257 178.185 176.000 -0.119 0.000 0.980 162 Q CA 1.926 57.660 55.803 -0.114 0.000 0.869 162 Q CB -0.522 28.152 28.738 -0.108 0.000 0.912 162 Q HN 0.429 nan 8.270 nan 0.000 0.436 163 S N -0.834 114.821 115.700 -0.074 0.000 2.356 163 S HA -0.168 4.302 4.470 0.000 0.000 0.223 163 S C 1.438 175.991 174.600 -0.079 0.000 1.032 163 S CA 1.247 59.414 58.200 -0.054 0.000 1.005 163 S CB -0.575 62.620 63.200 -0.008 0.000 0.867 163 S HN 0.675 nan 8.310 nan 0.000 0.449 164 Y N 2.180 122.352 120.300 -0.212 0.000 2.145 164 Y HA -0.064 4.486 4.550 0.000 0.000 0.286 164 Y C 1.858 177.603 175.900 -0.257 0.000 1.145 164 Y CA 1.305 59.261 58.100 -0.241 0.000 1.148 164 Y CB -0.485 37.786 38.460 -0.315 0.000 0.981 164 Y HN 0.148 nan 8.280 nan 0.000 0.507 165 L N 0.041 120.990 121.223 -0.456 0.000 2.042 165 L HA -0.234 4.106 4.340 0.000 0.000 0.210 165 L C 2.446 179.139 176.870 -0.295 0.000 1.076 165 L CA 1.887 56.491 54.840 -0.394 0.000 0.749 165 L CB -0.607 41.327 42.059 -0.208 0.000 0.893 165 L HN 0.276 nan 8.230 nan 0.000 0.432 166 E N -0.212 119.859 120.200 -0.215 0.000 2.110 166 E HA -0.270 4.080 4.350 0.000 0.000 0.193 166 E C 2.120 178.626 176.600 -0.157 0.000 0.988 166 E CA 1.223 57.535 56.400 -0.146 0.000 0.804 166 E CB 0.063 29.703 29.700 -0.100 0.000 0.745 166 E HN 0.438 nan 8.360 nan 0.000 0.458 167 E N 0.638 120.711 120.200 -0.211 0.000 2.072 167 E HA -0.246 4.104 4.350 0.000 0.000 0.191 167 E C 1.950 178.432 176.600 -0.196 0.000 0.985 167 E CA 1.150 57.442 56.400 -0.180 0.000 0.801 167 E CB 0.099 29.692 29.700 -0.179 0.000 0.750 167 E HN 0.047 nan 8.360 nan 0.000 0.452 168 E N 0.500 120.474 120.200 -0.377 0.000 2.077 168 E HA -0.142 4.208 4.350 0.000 0.000 0.193 168 E C 1.763 178.310 176.600 -0.088 0.000 0.989 168 E CA 1.478 57.715 56.400 -0.271 0.000 0.800 168 E CB -0.299 29.115 29.700 -0.476 0.000 0.746 168 E HN 0.345 nan 8.360 nan 0.000 0.452 169 A N 0.780 123.522 122.820 -0.131 0.000 1.902 169 A HA -0.083 4.237 4.320 0.000 0.000 0.217 169 A C 2.440 179.978 177.584 -0.077 0.000 1.181 169 A CA 2.041 54.020 52.037 -0.096 0.000 0.623 169 A CB -1.039 17.909 19.000 -0.087 0.000 0.818 169 A HN 0.396 nan 8.150 nan 0.000 0.443 170 A N -1.288 121.502 122.820 -0.051 0.000 1.902 170 A HA -0.128 4.192 4.320 0.000 0.000 0.217 170 A C 2.154 179.745 177.584 0.012 0.000 1.181 170 A CA 1.744 53.769 52.037 -0.021 0.000 0.623 170 A CB -0.835 18.158 19.000 -0.012 0.000 0.818 170 A HN 0.833 nan 8.150 nan 0.000 0.443 171 Y N 0.561 120.816 120.300 -0.074 0.000 2.200 171 Y HA -0.129 4.422 4.550 0.000 0.000 0.290 171 Y C 1.865 177.731 175.900 -0.058 0.000 1.137 171 Y CA 1.724 59.809 58.100 -0.024 0.000 1.163 171 Y CB -0.385 38.066 38.460 -0.015 0.000 0.988 171 Y HN 0.196 nan 8.280 nan 0.000 0.518 172 L N -0.471 120.526 121.223 -0.376 0.000 2.079 172 L HA -0.215 4.125 4.340 0.000 0.000 0.210 172 L C 1.807 178.311 176.870 -0.609 0.000 1.081 172 L CA 1.917 56.281 54.840 -0.793 0.000 0.752 172 L CB -0.759 40.993 42.059 -0.512 0.000 0.896 172 L HN 0.225 nan 8.230 nan 0.000 0.433 173 T N -1.196 113.195 114.554 -0.271 0.000 3.144 173 T HA 0.045 4.395 4.350 0.000 0.000 0.249 173 T C 0.884 175.563 174.700 -0.036 0.000 1.089 173 T CA 0.250 62.277 62.100 -0.121 0.000 0.989 173 T CB -0.139 68.686 68.868 -0.071 0.000 0.992 173 T HN 0.395 nan 8.240 nan 0.000 0.540 174 S N 0.003 115.674 115.700 -0.049 0.000 2.693 174 S HA 0.323 4.793 4.470 0.000 0.000 0.276 174 S C 0.921 175.625 174.600 0.172 0.000 1.192 174 S CA -0.513 57.723 58.200 0.060 0.000 0.994 174 S CB 1.187 64.426 63.200 0.065 0.000 1.012 174 S HN 0.300 nan 8.310 nan 0.000 0.550 175 H N 0.594 119.732 119.070 0.114 0.000 2.470 175 H HA 0.141 4.697 4.556 0.000 0.000 0.289 175 H C 2.085 177.570 175.328 0.261 0.000 1.033 175 H CA 1.665 57.820 56.048 0.177 0.000 1.331 175 H CB -0.083 29.741 29.762 0.103 0.000 1.414 175 H HN 0.641 nan 8.280 nan 0.000 0.545 176 R N -0.369 120.238 120.500 0.178 0.000 2.127 176 R HA -0.187 4.153 4.340 0.000 0.000 0.238 176 R C 1.797 178.204 176.300 0.178 0.000 1.134 176 R CA 1.666 57.868 56.100 0.169 0.000 0.975 176 R CB -1.323 29.130 30.300 0.254 0.000 0.865 176 R HN 0.474 nan 8.270 nan 0.000 0.447 177 Y N -0.864 119.387 120.300 -0.082 0.000 2.145 177 Y HA -0.201 4.350 4.550 0.000 0.000 0.286 177 Y C 1.897 177.867 175.900 0.117 0.000 1.145 177 Y CA 2.001 60.026 58.100 -0.126 0.000 1.148 177 Y CB -0.833 37.449 38.460 -0.297 0.000 0.981 177 Y HN 0.264 nan 8.280 nan 0.000 0.507 178 W N 1.492 122.728 121.300 -0.107 0.000 2.358 178 W HA -0.199 4.461 4.660 0.000 0.000 0.303 178 W C 2.279 178.653 176.519 -0.243 0.000 1.208 178 W CA 2.357 59.579 57.345 -0.205 0.000 1.274 178 W CB -0.383 28.984 29.460 -0.156 0.000 1.138 178 W HN 0.179 nan 8.180 nan 0.000 0.515 179 Q N -0.135 119.564 119.800 -0.169 0.000 2.030 179 Q HA -0.243 4.097 4.340 0.000 0.000 0.204 179 Q C 1.799 177.658 176.000 -0.236 0.000 0.986 179 Q CA 1.864 57.521 55.803 -0.243 0.000 0.843 179 Q CB -0.668 28.058 28.738 -0.020 0.000 0.904 179 Q HN 0.272 nan 8.270 nan 0.000 0.420 180 D N 0.749 121.105 120.400 -0.074 0.000 2.123 180 D HA -0.174 4.466 4.640 0.000 0.000 0.196 180 D C 1.720 177.799 176.300 -0.368 0.000 0.992 180 D CA 1.131 55.133 54.000 0.004 0.000 0.833 180 D CB -0.160 40.828 40.800 0.314 0.000 0.954 180 D HN 0.202 nan 8.370 nan 0.000 0.455 181 K N 0.398 120.333 120.400 -0.775 0.000 2.032 181 K HA -0.190 4.131 4.320 0.000 0.000 0.209 181 K C 2.051 178.318 176.600 -0.554 0.000 1.048 181 K CA 1.108 56.830 56.287 -0.942 0.000 0.927 181 K CB 0.183 32.239 32.500 -0.739 0.000 0.712 181 K HN -0.061 nan 8.250 nan 0.000 0.441 182 Q N 0.219 119.619 119.800 -0.666 0.000 2.030 182 Q HA -0.211 4.129 4.340 0.000 0.000 0.204 182 Q C 1.979 177.748 176.000 -0.385 0.000 0.986 182 Q CA 1.789 57.245 55.803 -0.579 0.000 0.843 182 Q CB -0.780 27.482 28.738 -0.793 0.000 0.904 182 Q HN 0.431 nan 8.270 nan 0.000 0.420 183 F N -0.202 119.416 119.950 -0.555 0.000 2.065 183 F HA -0.274 4.253 4.527 0.000 0.000 0.298 183 F C 1.882 177.318 175.800 -0.607 0.000 1.112 183 F CA 1.724 59.303 58.000 -0.700 0.000 1.212 183 F CB -0.485 37.762 39.000 -1.255 0.000 0.975 183 F HN 0.078 nan 8.300 nan 0.000 0.476 184 W N 0.754 121.969 121.300 -0.141 0.000 2.358 184 W HA -0.173 4.487 4.660 0.000 0.000 0.303 184 W C 2.762 179.180 176.519 -0.168 0.000 1.208 184 W CA 1.478 58.757 57.345 -0.110 0.000 1.274 184 W CB -0.839 28.606 29.460 -0.025 0.000 1.138 184 W HN 0.161 nan 8.180 nan 0.000 0.515 185 Q N 0.225 120.008 119.800 -0.028 0.000 1.975 185 Q HA -0.182 4.159 4.340 0.000 0.000 0.205 185 Q C 2.471 178.416 176.000 -0.091 0.000 0.990 185 Q CA 2.363 58.136 55.803 -0.050 0.000 0.845 185 Q CB -0.886 27.785 28.738 -0.110 0.000 0.913 185 Q HN 0.289 nan 8.270 nan 0.000 0.420 186 G N -0.521 108.168 108.800 -0.185 0.000 2.421 186 G HA2 -0.319 3.642 3.960 0.000 0.000 0.216 186 G HA3 -0.319 3.642 3.960 0.000 0.000 0.216 186 G C 1.183 175.970 174.900 -0.187 0.000 1.171 186 G CA 0.855 45.844 45.100 -0.186 0.000 0.775 186 G HN 0.544 nan 8.290 nan 0.000 0.543 187 Y N 1.027 121.031 120.300 -0.495 0.000 2.298 187 Y HA -0.034 4.516 4.550 0.000 0.000 0.287 187 Y C 2.333 178.163 175.900 -0.116 0.000 1.164 187 Y CA 1.154 58.972 58.100 -0.471 0.000 1.229 187 Y CB -0.028 37.880 38.460 -0.921 0.000 0.977 187 Y HN 0.136 nan 8.280 nan 0.000 0.538 188 L N -0.944 120.248 121.223 -0.051 0.000 2.253 188 L HA -0.016 4.324 4.340 0.000 0.000 0.205 188 L C 2.601 179.472 176.870 0.001 0.000 1.078 188 L CA 0.827 55.674 54.840 0.012 0.000 0.805 188 L CB -0.422 41.670 42.059 0.055 0.000 0.963 188 L HN 0.043 nan 8.230 nan 0.000 0.459 189 R N 1.343 121.825 120.500 -0.030 0.000 2.073 189 R HA -0.153 4.187 4.340 0.000 0.000 0.234 189 R C 0.720 176.990 176.300 -0.049 0.000 1.134 189 R CA 1.337 57.420 56.100 -0.028 0.000 0.952 189 R CB 0.023 30.300 30.300 -0.039 0.000 0.850 189 R HN 0.301 nan 8.270 nan 0.000 0.433 190 E N 0.416 120.561 120.200 -0.091 0.000 2.392 190 E HA 0.295 4.645 4.350 0.000 0.000 0.307 190 E C -1.031 175.472 176.600 -0.161 0.000 1.505 190 E CA -0.185 56.148 56.400 -0.112 0.000 1.716 190 E CB 0.935 30.563 29.700 -0.121 0.000 1.450 190 E HN 0.415 nan 8.360 nan 0.000 0.484 191 A N 1.177 123.924 122.820 -0.121 0.000 2.549 191 A HA 0.467 4.787 4.320 0.000 0.000 0.291 191 A C -2.839 174.724 177.584 -0.035 0.000 1.034 191 A CA -1.351 50.583 52.037 -0.172 0.000 0.655 191 A CB 0.537 19.342 19.000 -0.325 0.000 1.299 191 A HN 0.062 nan 8.150 nan 0.000 0.427 192 P HA 0.312 nan 4.420 nan 0.000 0.269 192 P C -0.833 176.653 177.300 0.310 0.000 1.217 192 P CA 0.090 63.229 63.100 0.065 0.000 0.783 192 P CB 0.284 31.962 31.700 -0.036 0.000 0.898 193 D N 0.606 121.148 120.400 0.237 0.000 2.423 193 D HA 0.097 4.737 4.640 0.000 0.000 0.238 193 D C 0.254 176.733 176.300 0.299 0.000 1.142 193 D CA 0.270 54.408 54.000 0.232 0.000 0.884 193 D CB 0.161 41.056 40.800 0.159 0.000 1.199 193 D HN 0.175 nan 8.370 nan 0.000 0.438 194 L N 1.173 122.459 121.223 0.105 0.000 2.395 194 L HA 0.213 4.553 4.340 0.000 0.000 0.269 194 L C 0.849 177.830 176.870 0.184 0.000 1.133 194 L CA -0.322 54.471 54.840 -0.079 0.000 0.812 194 L CB 0.767 42.532 42.059 -0.490 0.000 1.125 194 L HN 0.213 nan 8.230 nan 0.000 0.452 195 T N 3.298 118.008 114.554 0.261 0.000 2.794 195 T HA 0.336 4.686 4.350 0.000 0.000 0.296 195 T C 0.105 175.005 174.700 0.333 0.000 0.949 195 T CA -0.489 61.790 62.100 0.298 0.000 1.101 195 T CB 0.579 69.676 68.868 0.381 0.000 0.905 195 T HN 0.120 nan 8.240 nan 0.000 0.516 196 L N 2.912 124.272 121.223 0.228 0.000 2.468 196 L HA 0.310 4.650 4.340 0.000 0.000 0.254 196 L C 1.143 178.068 176.870 0.092 0.000 1.171 196 L CA 0.093 55.031 54.840 0.164 0.000 0.809 196 L CB 0.353 42.459 42.059 0.078 0.000 1.155 196 L HN 0.591 nan 8.230 nan 0.000 0.473 197 T N 0.563 115.140 114.554 0.038 0.000 2.851 197 T HA 0.126 4.476 4.350 0.000 0.000 0.298 197 T C 0.316 174.977 174.700 -0.065 0.000 0.977 197 T CA -0.335 61.750 62.100 -0.025 0.000 1.126 197 T CB 0.665 69.527 68.868 -0.009 0.000 0.916 197 T HN 0.624 nan 8.240 nan 0.000 0.529 198 S N 2.000 117.606 115.700 -0.156 0.000 2.558 198 S HA 0.144 4.614 4.470 0.000 0.000 0.293 198 S C 1.543 176.147 174.600 0.006 0.000 1.292 198 S CA -0.239 57.906 58.200 -0.092 0.000 1.063 198 S CB 0.133 63.257 63.200 -0.125 0.000 0.831 198 S HN 0.813 nan 8.310 nan 0.000 0.499 199 A N 3.622 126.445 122.820 0.005 0.000 2.066 199 A HA 0.050 4.371 4.320 0.000 0.000 0.218 199 A C 2.000 179.607 177.584 0.037 0.000 1.157 199 A CA 1.431 53.480 52.037 0.021 0.000 0.670 199 A CB -0.903 18.100 19.000 0.005 0.000 0.804 199 A HN 1.098 nan 8.150 nan 0.000 0.453 200 T N -3.846 110.730 114.554 0.038 0.000 3.235 200 T HA 0.212 4.563 4.350 0.000 0.000 0.251 200 T C 0.124 174.869 174.700 0.075 0.000 1.060 200 T CA -0.374 61.748 62.100 0.037 0.000 0.949 200 T CB -0.648 68.230 68.868 0.016 0.000 1.020 200 T HN 0.277 nan 8.240 nan 0.000 0.564 201 Y N 2.272 122.548 120.300 -0.039 0.000 2.319 201 Y HA 0.470 5.020 4.550 0.000 0.000 0.328 201 Y C -0.534 175.353 175.900 -0.022 0.000 1.133 201 Y CA -1.540 56.535 58.100 -0.041 0.000 1.265 201 Y CB 0.834 39.261 38.460 -0.055 0.000 1.218 201 Y HN 0.074 nan 8.280 nan 0.000 0.508 202 D N 8.234 128.187 120.400 -0.745 0.000 2.462 202 D HA 0.296 4.936 4.640 0.000 0.000 0.245 202 D C -2.161 173.518 176.300 -1.034 0.000 1.122 202 D CA -2.294 51.316 54.000 -0.649 0.000 0.864 202 D CB 2.159 42.777 40.800 -0.303 0.000 1.098 202 D HN 0.323 nan 8.370 nan 0.000 0.541 203 P HA -0.195 nan 4.420 nan 0.000 0.216 203 P C 1.317 178.299 177.300 -0.530 0.000 1.153 203 P CA 1.438 64.103 63.100 -0.725 0.000 0.858 203 P CB 0.140 31.496 31.700 -0.573 0.000 0.789 204 Q N -0.348 119.092 119.800 -0.601 0.000 2.291 204 Q HA -0.085 4.255 4.340 0.000 0.000 0.205 204 Q C 1.223 177.088 176.000 -0.225 0.000 0.970 204 Q CA 1.032 56.610 55.803 -0.375 0.000 0.876 204 Q CB -0.964 27.577 28.738 -0.328 0.000 0.935 204 Q HN 0.280 nan 8.270 nan 0.000 0.455 205 L N 2.057 123.133 121.223 -0.244 0.000 2.805 205 L HA 0.239 4.579 4.340 0.000 0.000 0.237 205 L C -0.066 176.762 176.870 -0.069 0.000 1.252 205 L CA -0.629 54.132 54.840 -0.131 0.000 1.064 205 L CB 0.187 42.170 42.059 -0.126 0.000 1.361 205 L HN 0.032 nan 8.230 nan 0.000 0.474 206 S N -0.639 115.016 115.700 -0.074 0.000 2.572 206 S HA 0.105 4.576 4.470 0.000 0.000 0.279 206 S C -0.163 174.463 174.600 0.043 0.000 1.341 206 S CA 0.023 58.227 58.200 0.007 0.000 1.043 206 S CB 0.487 63.675 63.200 -0.020 0.000 0.887 206 S HN 0.353 nan 8.310 nan 0.000 0.516 207 H N 0.582 119.626 119.070 -0.044 0.000 2.651 207 H HA 0.505 5.061 4.556 0.000 0.000 0.252 207 H C -0.277 174.991 175.328 -0.100 0.000 1.365 207 H CA -0.225 55.785 56.048 -0.064 0.000 1.539 207 H CB -0.076 29.655 29.762 -0.053 0.000 1.621 207 H HN 0.721 nan 8.280 nan 0.000 0.526 208 A N 2.768 125.488 122.820 -0.167 0.000 2.371 208 A HA 0.587 4.908 4.320 0.000 0.000 0.257 208 A C -0.310 177.120 177.584 -0.257 0.000 1.089 208 A CA 0.117 52.045 52.037 -0.182 0.000 0.794 208 A CB 0.312 19.224 19.000 -0.148 0.000 1.029 208 A HN 0.659 nan 8.150 nan 0.000 0.488 209 V N -0.798 118.902 119.914 -0.357 0.000 2.888 209 V HA 0.904 5.025 4.120 0.000 0.000 0.309 209 V C -0.370 175.514 176.094 -0.350 0.000 1.114 209 V CA -0.075 61.933 62.300 -0.487 0.000 0.940 209 V CB 1.187 32.392 31.823 -1.031 0.000 1.021 209 V HN 1.320 nan 8.190 nan 0.000 0.426 210 S N 2.978 118.683 115.700 0.008 0.000 2.638 210 S HA 0.941 5.411 4.470 0.000 0.000 0.274 210 S C -1.697 173.163 174.600 0.432 0.000 1.157 210 S CA -0.629 57.736 58.200 0.274 0.000 0.826 210 S CB 1.960 65.225 63.200 0.108 0.000 1.139 210 S HN 1.464 nan 8.310 nan 0.000 0.474 211 L N 1.820 123.247 121.223 0.341 0.000 2.666 211 L HA 0.496 4.836 4.340 0.000 0.000 0.259 211 L C -1.302 175.636 176.870 0.113 0.000 0.919 211 L CA -0.160 54.808 54.840 0.212 0.000 0.927 211 L CB 2.027 44.199 42.059 0.187 0.000 1.423 211 L HN 0.734 nan 8.230 nan 0.000 0.426 212 S N 2.030 117.768 115.700 0.063 0.000 2.525 212 S HA 0.841 5.311 4.470 0.000 0.000 0.290 212 S C -0.723 173.875 174.600 -0.003 0.000 1.152 212 S CA 0.015 58.225 58.200 0.018 0.000 1.072 212 S CB 1.490 64.696 63.200 0.011 0.000 1.027 212 S HN 0.547 nan 8.310 nan 0.000 0.500 213 Y N -0.177 120.101 120.300 -0.038 0.000 2.338 213 Y HA 0.623 5.173 4.550 0.000 0.000 0.333 213 Y C 0.165 176.023 175.900 -0.070 0.000 0.968 213 Y CA -1.452 56.623 58.100 -0.042 0.000 1.123 213 Y CB 0.574 39.009 38.460 -0.041 0.000 1.165 213 Y HN 0.667 nan 8.280 nan 0.000 0.452 214 T N 5.856 120.380 114.554 -0.050 0.000 2.723 214 T HA 0.411 4.762 4.350 0.000 0.000 0.297 214 T C 0.200 174.852 174.700 -0.079 0.000 0.925 214 T CA -0.133 61.931 62.100 -0.059 0.000 1.030 214 T CB -0.165 68.682 68.868 -0.035 0.000 0.905 214 T HN 0.625 nan 8.240 nan 0.000 0.502 215 L N 4.568 125.715 121.223 -0.127 0.000 2.562 215 L HA 0.098 4.438 4.340 0.000 0.000 0.271 215 L C 1.387 178.182 176.870 -0.125 0.000 1.167 215 L CA -0.295 54.440 54.840 -0.174 0.000 0.917 215 L CB 0.025 41.909 42.059 -0.292 0.000 1.187 215 L HN 0.643 nan 8.230 nan 0.000 0.482 216 N N 2.157 120.804 118.700 -0.090 0.000 2.458 216 N HA -0.054 4.686 4.740 0.000 0.000 0.258 216 N C 0.932 176.398 175.510 -0.073 0.000 1.219 216 N CA 0.057 53.071 53.050 -0.060 0.000 0.902 216 N CB 1.170 39.639 38.487 -0.029 0.000 1.076 216 N HN 0.614 nan 8.380 nan 0.000 0.455 217 S N 2.945 118.609 115.700 -0.060 0.000 2.399 217 S HA -0.243 4.227 4.470 0.000 0.000 0.235 217 S C 1.696 176.260 174.600 -0.060 0.000 1.063 217 S CA 1.250 59.413 58.200 -0.063 0.000 1.070 217 S CB -0.189 62.989 63.200 -0.038 0.000 0.904 217 S HN 0.659 nan 8.310 nan 0.000 0.456 218 Q N 0.089 119.870 119.800 -0.032 0.000 2.082 218 Q HA -0.202 4.138 4.340 0.000 0.000 0.211 218 Q C 2.311 178.284 176.000 -0.043 0.000 1.002 218 Q CA 1.459 57.257 55.803 -0.007 0.000 0.868 218 Q CB -0.718 28.033 28.738 0.021 0.000 0.931 218 Q HN 0.488 nan 8.270 nan 0.000 0.414 219 L N 1.545 122.725 121.223 -0.071 0.000 2.056 219 L HA -0.146 4.194 4.340 0.000 0.000 0.207 219 L C 1.772 178.541 176.870 -0.169 0.000 1.078 219 L CA 1.595 56.364 54.840 -0.117 0.000 0.749 219 L CB -0.760 41.222 42.059 -0.128 0.000 0.901 219 L HN 0.135 nan 8.230 nan 0.000 0.433 220 N N -0.115 118.478 118.700 -0.178 0.000 2.037 220 N HA -0.300 4.440 4.740 0.000 0.000 0.196 220 N C 2.013 177.401 175.510 -0.205 0.000 1.034 220 N CA 2.192 55.109 53.050 -0.221 0.000 0.861 220 N CB -1.103 37.261 38.487 -0.206 0.000 1.039 220 N HN 0.749 nan 8.380 nan 0.000 0.427 221 H N 0.554 119.535 119.070 -0.148 0.000 2.387 221 H HA 0.090 4.646 4.556 0.000 0.000 0.299 221 H C 2.199 177.437 175.328 -0.151 0.000 1.090 221 H CA 1.539 57.515 56.048 -0.120 0.000 1.332 221 H CB -0.739 28.987 29.762 -0.060 0.000 1.386 221 H HN 0.138 nan 8.280 nan 0.000 0.516 222 L N 0.299 121.393 121.223 -0.215 0.000 2.027 222 L HA -0.018 4.323 4.340 0.000 0.000 0.206 222 L C 2.508 179.234 176.870 -0.240 0.000 1.074 222 L CA 1.836 56.461 54.840 -0.359 0.000 0.745 222 L CB -0.850 40.882 42.059 -0.544 0.000 0.898 222 L HN 0.544 nan 8.230 nan 0.000 0.433 223 L N -0.982 120.130 121.223 -0.186 0.000 1.971 223 L HA -0.300 4.040 4.340 0.000 0.000 0.215 223 L C 2.597 179.418 176.870 -0.082 0.000 1.072 223 L CA 2.164 56.932 54.840 -0.121 0.000 0.758 223 L CB -0.359 41.599 42.059 -0.169 0.000 0.889 223 L HN 0.362 nan 8.230 nan 0.000 0.433 224 L N 0.204 121.353 121.223 -0.123 0.000 2.013 224 L HA -0.299 4.041 4.340 0.000 0.000 0.212 224 L C 3.155 180.007 176.870 -0.031 0.000 1.073 224 L CA 2.283 57.081 54.840 -0.069 0.000 0.753 224 L CB -1.105 40.885 42.059 -0.114 0.000 0.890 224 L HN 0.317 nan 8.230 nan 0.000 0.432 225 K N 0.491 120.853 120.400 -0.064 0.000 2.001 225 K HA -0.195 4.125 4.320 0.000 0.000 0.214 225 K C 1.916 178.500 176.600 -0.027 0.000 1.050 225 K CA 2.106 58.368 56.287 -0.042 0.000 0.934 225 K CB -1.489 30.968 32.500 -0.071 0.000 0.718 225 K HN 0.303 nan 8.250 nan 0.000 0.443 226 L N 0.078 121.268 121.223 -0.054 0.000 2.081 226 L HA -0.234 4.107 4.340 0.000 0.000 0.212 226 L C 3.131 180.010 176.870 0.016 0.000 1.080 226 L CA 1.382 56.211 54.840 -0.019 0.000 0.754 226 L CB -0.593 41.452 42.059 -0.023 0.000 0.893 226 L HN 0.549 nan 8.230 nan 0.000 0.433 227 A N 0.392 123.230 122.820 0.029 0.000 1.858 227 A HA -0.227 4.094 4.320 0.000 0.000 0.216 227 A C 2.064 179.671 177.584 0.038 0.000 1.190 227 A CA 1.999 54.069 52.037 0.054 0.000 0.617 227 A CB -0.628 18.440 19.000 0.114 0.000 0.827 227 A HN 0.498 nan 8.150 nan 0.000 0.443 228 N N 0.826 119.546 118.700 0.034 0.000 2.013 228 N HA -0.205 4.535 4.740 0.000 0.000 0.195 228 N C 2.009 177.532 175.510 0.022 0.000 1.051 228 N CA 1.826 54.893 53.050 0.028 0.000 0.851 228 N CB -1.043 37.459 38.487 0.025 0.000 1.044 228 N HN 0.462 nan 8.380 nan 0.000 0.422 229 A N 2.227 125.061 122.820 0.023 0.000 1.909 229 A HA -0.217 4.103 4.320 0.000 0.000 0.221 229 A C 1.567 179.163 177.584 0.019 0.000 1.223 229 A CA 1.941 53.992 52.037 0.024 0.000 0.658 229 A CB -0.735 18.283 19.000 0.029 0.000 0.831 229 A HN 0.394 nan 8.150 nan 0.000 0.462 230 N N 0.353 119.063 118.700 0.017 0.000 2.362 230 N HA 0.081 4.821 4.740 0.000 0.000 0.211 230 N C -0.597 174.912 175.510 -0.001 0.000 1.170 230 N CA 0.369 53.423 53.050 0.008 0.000 0.828 230 N CB 0.050 38.541 38.487 0.006 0.000 1.034 230 N HN 0.607 nan 8.380 nan 0.000 0.475 231 Q N 0.332 120.134 119.800 0.004 0.000 2.426 231 Q HA -0.179 4.161 4.340 0.000 0.000 0.359 231 Q C -0.683 175.309 176.000 -0.012 0.000 1.381 231 Q CA 0.698 56.501 55.803 -0.000 0.000 1.060 231 Q CB -1.158 27.578 28.738 -0.002 0.000 1.253 231 Q HN 0.544 nan 8.270 nan 0.000 0.363 232 I N -1.649 118.916 120.570 -0.008 0.000 3.102 232 I HA 0.619 4.789 4.170 0.000 0.000 0.310 232 I C 0.216 176.325 176.117 -0.013 0.000 1.246 232 I CA -0.859 60.426 61.300 -0.025 0.000 0.979 232 I CB 1.883 39.862 38.000 -0.035 0.000 1.267 232 I HN 0.179 nan 8.210 nan 0.000 0.451 233 G N 2.966 111.736 108.800 -0.050 0.000 2.503 233 G HA2 0.083 4.043 3.960 0.000 0.000 0.257 233 G HA3 0.083 4.043 3.960 0.000 0.000 0.257 233 G C 0.502 175.370 174.900 -0.053 0.000 1.214 233 G CA -0.265 44.786 45.100 -0.083 0.000 0.839 233 G HN 0.934 nan 8.290 nan 0.000 0.559 234 W N 1.073 122.344 121.300 -0.048 0.000 2.465 234 W HA 0.026 4.686 4.660 0.000 0.000 0.268 234 W C -1.728 174.740 176.519 -0.085 0.000 1.242 234 W CA 0.749 58.052 57.345 -0.070 0.000 1.248 234 W CB -1.451 27.959 29.460 -0.083 0.000 1.118 234 W HN 0.406 nan 8.180 nan 0.000 0.587 235 P HA -0.089 nan 4.420 nan 0.000 0.217 235 P C 1.171 178.355 177.300 -0.193 0.000 1.154 235 P CA 2.048 64.804 63.100 -0.573 0.000 0.841 235 P CB -0.050 31.161 31.700 -0.815 0.000 0.788 236 D N -0.860 119.447 120.400 -0.154 0.000 2.178 236 D HA -0.094 4.546 4.640 0.000 0.000 0.201 236 D C 1.924 178.197 176.300 -0.046 0.000 0.980 236 D CA 1.205 55.161 54.000 -0.074 0.000 0.842 236 D CB -0.596 40.157 40.800 -0.077 0.000 0.948 236 D HN 0.013 nan 8.370 nan 0.000 0.472 237 A N -0.119 122.695 122.820 -0.011 0.000 1.968 237 A HA -0.068 4.252 4.320 0.000 0.000 0.217 237 A C 1.978 179.591 177.584 0.049 0.000 1.169 237 A CA 0.609 52.666 52.037 0.034 0.000 0.638 237 A CB -0.391 18.653 19.000 0.074 0.000 0.812 237 A HN 0.175 nan 8.150 nan 0.000 0.446 238 L N -0.429 120.802 121.223 0.013 0.000 2.093 238 L HA -0.068 4.272 4.340 0.000 0.000 0.208 238 L C 2.502 179.350 176.870 -0.036 0.000 1.085 238 L CA 1.302 56.087 54.840 -0.090 0.000 0.755 238 L CB -0.515 41.347 42.059 -0.328 0.000 0.904 238 L HN 0.199 nan 8.230 nan 0.000 0.435 239 V N -0.573 119.337 119.914 -0.008 0.000 2.307 239 V HA -0.276 3.844 4.120 0.000 0.000 0.245 239 V C 2.703 178.832 176.094 0.058 0.000 1.045 239 V CA 1.513 63.838 62.300 0.042 0.000 1.024 239 V CB -1.136 30.697 31.823 0.017 0.000 0.651 239 V HN 0.506 nan 8.190 nan 0.000 0.449 240 A N -0.151 122.687 122.820 0.029 0.000 1.892 240 A HA -0.219 4.101 4.320 0.000 0.000 0.218 240 A C 2.224 179.931 177.584 0.205 0.000 1.188 240 A CA 2.090 54.148 52.037 0.034 0.000 0.631 240 A CB -0.660 18.328 19.000 -0.021 0.000 0.822 240 A HN 0.502 nan 8.150 nan 0.000 0.447 241 L N -0.936 120.419 121.223 0.219 0.000 2.083 241 L HA -0.226 4.114 4.340 0.000 0.000 0.209 241 L C 2.864 179.849 176.870 0.193 0.000 1.083 241 L CA 1.391 56.418 54.840 0.312 0.000 0.752 241 L CB -0.682 41.607 42.059 0.382 0.000 0.899 241 L HN 0.731 nan 8.230 nan 0.000 0.433 242 C N 0.094 119.498 119.300 0.173 0.000 2.446 242 C HA -0.068 4.392 4.460 0.000 0.000 0.277 242 C C 3.105 178.088 174.990 -0.011 0.000 1.275 242 C CA 0.689 59.776 59.018 0.115 0.000 1.727 242 C CB -0.681 27.209 27.740 0.249 0.000 2.010 242 C HN 0.540 nan 8.230 nan 0.000 0.486 243 A N 0.143 123.009 122.820 0.077 0.000 1.933 243 A HA -0.080 4.240 4.320 0.000 0.000 0.218 243 A C 2.073 179.713 177.584 0.094 0.000 1.175 243 A CA 1.880 53.968 52.037 0.084 0.000 0.628 243 A CB -0.747 18.324 19.000 0.118 0.000 0.814 243 A HN 0.641 nan 8.150 nan 0.000 0.444 244 L N -1.506 119.822 121.223 0.175 0.000 1.973 244 L HA -0.140 4.200 4.340 0.000 0.000 0.208 244 L C 2.380 179.172 176.870 -0.130 0.000 1.073 244 L CA 2.509 57.366 54.840 0.029 0.000 0.746 244 L CB -1.020 41.123 42.059 0.140 0.000 0.891 244 L HN 0.560 nan 8.230 nan 0.000 0.433 245 Y N -0.028 119.923 120.300 -0.582 0.000 2.173 245 Y HA -0.280 4.271 4.550 0.000 0.000 0.282 245 Y C 2.004 177.583 175.900 -0.535 0.000 1.192 245 Y CA 1.931 59.405 58.100 -1.044 0.000 1.176 245 Y CB -0.563 36.728 38.460 -1.948 0.000 0.969 245 Y HN 0.229 nan 8.280 nan 0.000 0.519 246 L N 0.344 121.187 121.223 -0.635 0.000 2.551 246 L HA -0.085 4.255 4.340 0.000 0.000 0.228 246 L C 2.104 178.782 176.870 -0.320 0.000 1.153 246 L CA 1.028 55.552 54.840 -0.528 0.000 0.851 246 L CB -0.422 41.494 42.059 -0.237 0.000 0.959 246 L HN 0.223 nan 8.230 nan 0.000 0.451 247 E N 0.771 120.815 120.200 -0.259 0.000 2.152 247 E HA -0.135 4.216 4.350 0.000 0.000 0.192 247 E C 1.377 177.874 176.600 -0.171 0.000 0.983 247 E CA 1.144 57.443 56.400 -0.168 0.000 0.818 247 E CB 0.220 29.831 29.700 -0.147 0.000 0.758 247 E HN 0.346 nan 8.360 nan 0.000 0.467 248 S N -2.019 113.547 115.700 -0.224 0.000 2.751 248 S HA 0.666 5.136 4.470 0.000 0.000 0.247 248 S C 0.480 174.929 174.600 -0.252 0.000 1.103 248 S CA -0.100 57.994 58.200 -0.177 0.000 1.090 248 S CB 1.140 64.279 63.200 -0.100 0.000 0.928 248 S HN 0.205 nan 8.310 nan 0.000 0.502 249 A N 0.912 123.512 122.820 -0.367 0.000 2.425 249 A HA 0.584 4.904 4.320 0.000 0.000 0.201 249 A C 0.511 177.961 177.584 -0.223 0.000 1.431 249 A CA -0.093 51.689 52.037 -0.425 0.000 1.066 249 A CB 0.588 18.976 19.000 -1.022 0.000 1.318 249 A HN 0.467 nan 8.150 nan 0.000 0.534 250 E N -0.482 119.627 120.200 -0.152 0.000 3.165 250 E HA 0.139 4.489 4.350 0.000 0.000 0.299 250 E C -2.409 174.167 176.600 -0.039 0.000 1.083 250 E CA -0.668 55.713 56.400 -0.033 0.000 1.121 250 E CB 0.664 30.423 29.700 0.099 0.000 1.274 250 E HN 0.106 nan 8.360 nan 0.000 0.394 251 P HA -0.153 nan 4.420 nan 0.000 0.222 251 P C 0.233 177.514 177.300 -0.031 0.000 1.142 251 P CA 1.117 64.183 63.100 -0.058 0.000 0.788 251 P CB 0.190 31.855 31.700 -0.058 0.000 0.767 252 D N -1.167 119.228 120.400 -0.007 0.000 2.355 252 D HA 0.066 4.706 4.640 0.000 0.000 0.218 252 D C 0.769 177.098 176.300 0.048 0.000 1.004 252 D CA 0.355 54.363 54.000 0.014 0.000 0.880 252 D CB -0.430 40.382 40.800 0.020 0.000 0.911 252 D HN 0.093 nan 8.370 nan 0.000 0.528 253 A N 1.342 124.197 122.820 0.058 0.000 2.774 253 A HA 0.391 4.711 4.320 0.000 0.000 0.326 253 A C -1.499 176.119 177.584 0.057 0.000 1.478 253 A CA -1.149 50.958 52.037 0.117 0.000 1.099 253 A CB 0.590 19.687 19.000 0.161 0.000 1.148 253 A HN -0.078 nan 8.150 nan 0.000 0.519 254 P HA -0.109 nan 4.420 nan 0.000 0.215 254 P C -0.145 176.984 177.300 -0.286 0.000 1.153 254 P CA 1.050 64.007 63.100 -0.238 0.000 0.853 254 P CB 0.116 31.559 31.700 -0.429 0.000 0.788 255 W N -0.529 120.753 121.300 -0.031 0.000 2.448 255 W HA 0.560 5.220 4.660 0.000 0.000 0.339 255 W C -0.126 176.372 176.519 -0.034 0.000 1.124 255 W CA -0.617 56.670 57.345 -0.097 0.000 1.262 255 W CB 0.687 30.021 29.460 -0.210 0.000 1.251 255 W HN -0.281 nan 8.180 nan 0.000 0.597 256 L N 2.421 123.748 121.223 0.173 0.000 2.372 256 L HA 0.417 4.757 4.340 0.000 0.000 0.274 256 L C -1.451 175.447 176.870 0.046 0.000 0.988 256 L CA -0.792 54.140 54.840 0.153 0.000 0.833 256 L CB 0.858 42.982 42.059 0.110 0.000 1.236 256 L HN 0.553 nan 8.230 nan 0.000 0.410 257 W N 5.843 127.164 121.300 0.035 0.000 2.315 257 W HA 0.544 5.204 4.660 0.000 0.000 0.316 257 W C -0.522 175.731 176.519 -0.443 0.000 1.211 257 W CA -0.086 57.215 57.345 -0.074 0.000 1.201 257 W CB 0.933 30.439 29.460 0.077 0.000 1.184 257 W HN 0.224 nan 8.180 nan 0.000 0.544 258 L N 5.767 126.940 121.223 -0.083 0.000 2.381 258 L HA 0.546 4.886 4.340 0.000 0.000 0.268 258 L C -2.185 174.714 176.870 0.049 0.000 0.997 258 L CA -2.368 52.370 54.840 -0.170 0.000 0.818 258 L CB 2.336 44.432 42.059 0.062 0.000 1.310 258 L HN 0.117 nan 8.230 nan 0.000 0.416 259 P HA 0.156 nan 4.420 nan 0.000 0.297 259 P C -1.188 176.316 177.300 0.340 0.000 1.331 259 P CA -0.266 63.049 63.100 0.359 0.000 0.803 259 P CB 0.934 32.913 31.700 0.465 0.000 0.929 260 F N 5.864 125.931 119.950 0.196 0.000 2.334 260 F HA 0.232 4.759 4.527 0.000 0.000 0.367 260 F C 1.317 177.147 175.800 0.050 0.000 1.115 260 F CA -1.302 56.761 58.000 0.105 0.000 1.116 260 F CB 0.843 39.972 39.000 0.214 0.000 1.230 260 F HN 0.099 nan 8.300 nan 0.000 0.484 261 M N 3.209 122.552 119.600 -0.428 0.000 2.143 261 M HA -0.297 4.183 4.480 0.000 0.000 0.258 261 M C 1.163 176.981 176.300 -0.804 0.000 1.071 261 M CA 1.508 56.503 55.300 -0.509 0.000 1.088 261 M CB -1.572 30.739 32.600 -0.482 0.000 1.360 261 M HN 0.847 nan 8.290 nan 0.000 0.404 262 N N 0.050 117.770 118.700 -1.634 0.000 2.740 262 N HA -0.194 4.546 4.740 0.000 0.000 0.248 262 N C 0.448 175.668 175.510 -0.482 0.000 1.062 262 N CA 0.032 52.380 53.050 -1.169 0.000 0.704 262 N CB -0.022 38.097 38.487 -0.613 0.000 0.968 262 N HN 0.319 nan 8.380 nan 0.000 0.547 263 R N -0.771 119.459 120.500 -0.451 0.000 2.257 263 R HA 0.029 4.370 4.340 0.000 0.000 0.195 263 R C 0.384 176.648 176.300 -0.061 0.000 0.921 263 R CA -0.080 55.833 56.100 -0.311 0.000 1.069 263 R CB -0.330 29.583 30.300 -0.646 0.000 1.115 263 R HN 0.369 nan 8.270 nan 0.000 0.571 264 W N 4.218 125.399 121.300 -0.200 0.000 2.589 264 W HA -0.001 4.659 4.660 0.000 0.000 0.350 264 W C 0.714 177.228 176.519 -0.008 0.000 1.201 264 W CA 1.532 58.847 57.345 -0.050 0.000 1.225 264 W CB -0.611 28.886 29.460 0.060 0.000 1.226 264 W HN 0.563 nan 8.180 nan 0.000 0.578 265 G N 4.214 113.050 108.800 0.060 0.000 2.338 265 G HA2 -0.134 3.826 3.960 0.000 0.000 0.296 265 G HA3 -0.134 3.826 3.960 0.000 0.000 0.296 265 G C -0.044 174.792 174.900 -0.107 0.000 1.040 265 G CA 0.502 45.524 45.100 -0.130 0.000 1.004 265 G HN 1.282 nan 8.290 nan 0.000 0.509 266 S N -2.091 113.592 115.700 -0.029 0.000 2.541 266 S HA 0.582 5.052 4.470 0.000 0.000 0.271 266 S C 1.466 176.085 174.600 0.032 0.000 1.133 266 S CA 0.402 58.596 58.200 -0.010 0.000 0.876 266 S CB 1.696 64.895 63.200 -0.001 0.000 1.105 266 S HN 1.569 nan 8.310 nan 0.000 0.470 267 V N 2.463 122.408 119.914 0.051 0.000 2.546 267 V HA -0.047 4.073 4.120 0.000 0.000 0.254 267 V C 2.514 178.655 176.094 0.078 0.000 1.076 267 V CA 2.353 64.694 62.300 0.068 0.000 1.087 267 V CB -1.936 29.931 31.823 0.072 0.000 0.674 267 V HN 1.062 nan 8.190 nan 0.000 0.470 268 A N 0.755 123.637 122.820 0.103 0.000 2.093 268 A HA -0.059 4.261 4.320 0.000 0.000 0.222 268 A C 2.462 180.020 177.584 -0.044 0.000 1.162 268 A CA 2.338 54.355 52.037 -0.033 0.000 0.655 268 A CB -0.967 17.977 19.000 -0.094 0.000 0.805 268 A HN 1.105 nan 8.150 nan 0.000 0.461 269 A N -0.095 122.731 122.820 0.010 0.000 2.019 269 A HA -0.118 4.202 4.320 0.000 0.000 0.219 269 A C 1.382 179.033 177.584 0.112 0.000 1.164 269 A CA 1.444 53.521 52.037 0.066 0.000 0.644 269 A CB -0.270 18.777 19.000 0.078 0.000 0.805 269 A HN 0.566 nan 8.150 nan 0.000 0.449 270 N N -0.396 118.356 118.700 0.087 0.000 2.338 270 N HA 0.246 4.986 4.740 0.000 0.000 0.251 270 N C -1.013 174.540 175.510 0.071 0.000 1.199 270 N CA 0.235 53.382 53.050 0.161 0.000 0.879 270 N CB 1.463 40.055 38.487 0.175 0.000 1.159 270 N HN 0.124 nan 8.380 nan 0.000 0.514 271 V N 1.742 121.595 119.914 -0.102 0.000 2.439 271 V HA 0.317 4.437 4.120 0.000 0.000 0.277 271 V C -2.486 173.416 176.094 -0.319 0.000 1.008 271 V CA -1.687 60.496 62.300 -0.196 0.000 0.846 271 V CB 2.010 33.805 31.823 -0.047 0.000 1.031 271 V HN -0.118 nan 8.190 nan 0.000 0.441 272 P HA 0.445 nan 4.420 nan 0.000 0.265 272 P C 0.546 177.688 177.300 -0.263 0.000 1.193 272 P CA 0.843 63.677 63.100 -0.444 0.000 0.765 272 P CB 0.920 32.239 31.700 -0.634 0.000 0.823 273 G N 1.530 110.232 108.800 -0.163 0.000 2.356 273 G HA2 0.336 4.296 3.960 0.000 0.000 0.281 273 G HA3 0.336 4.296 3.960 0.000 0.000 0.281 273 G C -2.211 172.641 174.900 -0.080 0.000 1.246 273 G CA -0.626 44.411 45.100 -0.104 0.000 0.889 273 G HN 0.540 nan 8.290 nan 0.000 0.486 274 L N 0.359 121.559 121.223 -0.038 0.000 2.276 274 L HA 0.862 5.202 4.340 0.000 0.000 0.286 274 L C 0.366 177.238 176.870 0.004 0.000 1.024 274 L CA -0.265 54.574 54.840 -0.001 0.000 0.826 274 L CB 1.247 43.336 42.059 0.050 0.000 1.211 274 L HN 0.582 nan 8.230 nan 0.000 0.422 275 M N 3.985 123.576 119.600 -0.016 0.000 2.163 275 M HA 0.268 4.748 4.480 0.000 0.000 0.356 275 M C -0.057 176.242 176.300 -0.001 0.000 0.863 275 M CA -0.016 55.268 55.300 -0.026 0.000 1.113 275 M CB 0.664 33.169 32.600 -0.158 0.000 2.038 275 M HN 0.229 nan 8.290 nan 0.000 0.691 276 V N 2.930 122.865 119.914 0.035 0.000 2.617 276 V HA 0.049 4.169 4.120 0.000 0.000 0.304 276 V C -0.431 175.759 176.094 0.161 0.000 1.040 276 V CA 0.541 62.883 62.300 0.071 0.000 1.149 276 V CB 0.163 32.085 31.823 0.164 0.000 0.914 276 V HN 0.462 nan 8.190 nan 0.000 0.487 277 N N 4.241 123.049 118.700 0.181 0.000 2.372 277 N HA 0.377 5.117 4.740 0.000 0.000 0.285 277 N C -0.832 174.892 175.510 0.356 0.000 1.008 277 N CA -0.142 53.071 53.050 0.271 0.000 0.880 277 N CB 1.911 40.588 38.487 0.317 0.000 1.239 277 N HN 0.635 nan 8.380 nan 0.000 0.484 278 S N 2.825 118.740 115.700 0.360 0.000 2.489 278 S HA 0.554 5.024 4.470 0.000 0.000 0.277 278 S C -0.388 174.517 174.600 0.509 0.000 1.230 278 S CA -0.460 58.034 58.200 0.490 0.000 1.053 278 S CB 0.072 63.563 63.200 0.485 0.000 0.955 278 S HN 0.389 nan 8.310 nan 0.000 0.488 279 L N 5.047 126.543 121.223 0.455 0.000 2.371 279 L HA 0.594 4.935 4.340 0.000 0.000 0.262 279 L C -2.480 174.290 176.870 -0.166 0.000 1.006 279 L CA -2.416 52.519 54.840 0.158 0.000 0.818 279 L CB 2.700 44.870 42.059 0.185 0.000 1.354 279 L HN 0.370 nan 8.230 nan 0.000 0.415 280 P HA 0.205 nan 4.420 nan 0.000 0.297 280 P C -1.168 176.159 177.300 0.044 0.000 1.342 280 P CA -0.468 62.067 63.100 -0.943 0.000 0.801 280 P CB 1.745 32.379 31.700 -1.777 0.000 0.920 281 L N 5.774 127.059 121.223 0.103 0.000 2.257 281 L HA 0.271 4.611 4.340 0.000 0.000 0.290 281 L C -0.347 176.676 176.870 0.256 0.000 1.044 281 L CA -0.645 54.342 54.840 0.244 0.000 0.810 281 L CB 0.479 42.586 42.059 0.079 0.000 1.193 281 L HN 0.263 nan 8.230 nan 0.000 0.425 282 L N 6.339 127.672 121.223 0.183 0.000 2.407 282 L HA 0.245 4.585 4.340 0.000 0.000 0.282 282 L C 0.423 177.146 176.870 -0.244 0.000 1.110 282 L CA 0.068 54.631 54.840 -0.461 0.000 0.863 282 L CB -0.070 41.460 42.059 -0.882 0.000 1.207 282 L HN 0.850 nan 8.230 nan 0.000 0.454 283 R N 4.112 124.483 120.500 -0.214 0.000 2.537 283 R HA 0.124 4.464 4.340 0.000 0.000 0.281 283 R C -0.393 175.849 176.300 -0.097 0.000 0.988 283 R CA -0.072 55.968 56.100 -0.100 0.000 1.077 283 R CB 0.384 30.649 30.300 -0.059 0.000 0.932 283 R HN 0.655 nan 8.270 nan 0.000 0.409 284 L N 2.404 123.613 121.223 -0.023 0.000 2.418 284 L HA 0.160 4.500 4.340 0.000 0.000 0.265 284 L C 0.778 177.764 176.870 0.192 0.000 1.143 284 L CA -0.263 54.593 54.840 0.027 0.000 0.809 284 L CB 1.398 43.416 42.059 -0.067 0.000 1.124 284 L HN 0.627 nan 8.230 nan 0.000 0.456 285 S N 1.136 116.899 115.700 0.105 0.000 2.549 285 S HA 0.279 4.750 4.470 0.000 0.000 0.283 285 S C 0.525 175.178 174.600 0.089 0.000 1.320 285 S CA -0.358 57.880 58.200 0.064 0.000 1.058 285 S CB 0.911 64.115 63.200 0.006 0.000 0.882 285 S HN 0.679 nan 8.310 nan 0.000 0.498 286 A N 4.921 127.704 122.820 -0.061 0.000 2.833 286 A HA 0.385 4.705 4.320 0.000 0.000 0.293 286 A C 0.121 177.636 177.584 -0.115 0.000 1.338 286 A CA -0.388 51.522 52.037 -0.213 0.000 0.959 286 A CB -0.184 18.616 19.000 -0.333 0.000 1.094 286 A HN 0.836 nan 8.150 nan 0.000 0.569 287 Q N -1.011 118.760 119.800 -0.049 0.000 2.289 287 Q HA 0.540 4.880 4.340 0.000 0.000 0.270 287 Q C -0.105 175.887 176.000 -0.013 0.000 1.038 287 Q CA 0.028 55.809 55.803 -0.035 0.000 0.812 287 Q CB 1.709 30.425 28.738 -0.036 0.000 1.300 287 Q HN 0.931 nan 8.270 nan 0.000 0.427 288 Q N -1.092 118.702 119.800 -0.011 0.000 2.501 288 Q HA -0.138 4.203 4.340 0.000 0.000 0.275 288 Q C -0.692 175.316 176.000 0.013 0.000 1.074 288 Q CA 1.264 57.066 55.803 -0.001 0.000 0.974 288 Q CB -2.745 25.991 28.738 -0.003 0.000 1.307 288 Q HN 0.864 nan 8.270 nan 0.000 0.513 289 T N -2.548 112.017 114.554 0.019 0.000 2.957 289 T HA 0.759 5.109 4.350 0.000 0.000 0.336 289 T C 0.021 174.745 174.700 0.039 0.000 1.462 289 T CA 0.014 62.139 62.100 0.043 0.000 1.073 289 T CB 1.461 70.382 68.868 0.089 0.000 1.319 289 T HN 1.718 nan 8.240 nan 0.000 0.485 290 S N 1.395 117.125 115.700 0.050 0.000 2.652 290 S HA 0.496 4.966 4.470 0.000 0.000 0.270 290 S C 1.299 175.947 174.600 0.080 0.000 1.243 290 S CA -0.911 57.317 58.200 0.046 0.000 0.999 290 S CB 0.991 64.216 63.200 0.041 0.000 0.973 290 S HN 0.800 nan 8.310 nan 0.000 0.544 291 L N 2.265 123.528 121.223 0.066 0.000 1.971 291 L HA 0.044 4.384 4.340 0.000 0.000 0.215 291 L C 2.449 179.401 176.870 0.136 0.000 1.072 291 L CA 2.645 57.545 54.840 0.099 0.000 0.758 291 L CB -1.567 40.532 42.059 0.067 0.000 0.889 291 L HN 0.978 nan 8.230 nan 0.000 0.433 292 G N -0.985 107.870 108.800 0.091 0.000 2.450 292 G HA2 -0.357 3.603 3.960 0.000 0.000 0.220 292 G HA3 -0.357 3.603 3.960 0.000 0.000 0.220 292 G C 1.548 176.490 174.900 0.071 0.000 1.130 292 G CA 0.886 46.031 45.100 0.075 0.000 0.760 292 G HN 0.583 nan 8.290 nan 0.000 0.557 293 N N -1.027 117.722 118.700 0.082 0.000 2.354 293 N HA -0.079 4.662 4.740 0.000 0.000 0.179 293 N C 1.795 177.359 175.510 0.090 0.000 1.021 293 N CA 0.430 53.520 53.050 0.067 0.000 0.887 293 N CB -0.016 38.508 38.487 0.060 0.000 0.974 293 N HN 0.390 nan 8.380 nan 0.000 0.437 294 Y N 1.922 122.225 120.300 0.004 0.000 2.184 294 Y HA -0.021 4.529 4.550 0.000 0.000 0.290 294 Y C 2.260 178.162 175.900 0.002 0.000 1.129 294 Y CA 1.233 59.334 58.100 0.003 0.000 1.144 294 Y CB -0.440 38.029 38.460 0.015 0.000 0.995 294 Y HN -0.039 nan 8.280 nan 0.000 0.513 295 L N 0.325 121.582 121.223 0.056 0.000 1.989 295 L HA -0.266 4.074 4.340 0.000 0.000 0.211 295 L C 2.801 179.621 176.870 -0.084 0.000 1.071 295 L CA 2.089 56.913 54.840 -0.027 0.000 0.749 295 L CB -1.402 40.689 42.059 0.053 0.000 0.890 295 L HN 0.225 nan 8.230 nan 0.000 0.431 296 K N 0.132 120.506 120.400 -0.043 0.000 2.074 296 K HA -0.253 4.067 4.320 0.000 0.000 0.209 296 K C 1.916 178.462 176.600 -0.090 0.000 1.048 296 K CA 2.056 58.312 56.287 -0.052 0.000 0.926 296 K CB -0.993 31.494 32.500 -0.023 0.000 0.713 296 K HN 0.492 nan 8.250 nan 0.000 0.444 297 Q N -0.392 119.342 119.800 -0.110 0.000 2.245 297 Q HA 0.002 4.342 4.340 0.000 0.000 0.201 297 Q C 2.508 178.389 176.000 -0.199 0.000 0.955 297 Q CA 1.146 56.870 55.803 -0.132 0.000 0.870 297 Q CB 0.171 28.845 28.738 -0.107 0.000 0.945 297 Q HN 0.631 nan 8.270 nan 0.000 0.461 298 S N 0.019 115.543 115.700 -0.293 0.000 2.355 298 S HA -0.108 4.363 4.470 0.000 0.000 0.222 298 S C 1.887 176.352 174.600 -0.225 0.000 1.031 298 S CA 1.128 59.131 58.200 -0.327 0.000 0.993 298 S CB -0.466 62.471 63.200 -0.438 0.000 0.859 298 S HN 0.628 nan 8.310 nan 0.000 0.453 299 G N 1.142 109.830 108.800 -0.187 0.000 2.442 299 G HA2 -0.239 3.721 3.960 0.000 0.000 0.219 299 G HA3 -0.239 3.721 3.960 0.000 0.000 0.219 299 G C 1.320 176.108 174.900 -0.187 0.000 1.141 299 G CA 0.701 45.698 45.100 -0.173 0.000 0.763 299 G HN 0.502 nan 8.290 nan 0.000 0.554 300 Q N 0.222 119.928 119.800 -0.155 0.000 2.050 300 Q HA 0.019 4.359 4.340 0.000 0.000 0.202 300 Q C 3.048 178.949 176.000 -0.165 0.000 0.980 300 Q CA 1.296 57.017 55.803 -0.138 0.000 0.840 300 Q CB -0.297 28.381 28.738 -0.100 0.000 0.898 300 Q HN 0.465 nan 8.270 nan 0.000 0.424 301 A N 1.092 123.815 122.820 -0.163 0.000 1.877 301 A HA -0.175 4.145 4.320 0.000 0.000 0.216 301 A C 2.082 179.522 177.584 -0.240 0.000 1.186 301 A CA 1.181 53.122 52.037 -0.160 0.000 0.620 301 A CB -0.709 18.225 19.000 -0.110 0.000 0.822 301 A HN 0.307 nan 8.150 nan 0.000 0.443 302 I N -1.099 119.299 120.570 -0.288 0.000 2.208 302 I HA -0.275 3.895 4.170 0.000 0.000 0.245 302 I C 2.699 178.388 176.117 -0.713 0.000 1.097 302 I CA 1.801 62.826 61.300 -0.458 0.000 1.363 302 I CB -0.278 37.461 38.000 -0.434 0.000 1.051 302 I HN 0.317 nan 8.210 nan 0.000 0.413 303 R N 1.069 121.265 120.500 -0.506 0.000 2.081 303 R HA -0.135 4.205 4.340 0.000 0.000 0.235 303 R C 2.352 178.450 176.300 -0.337 0.000 1.131 303 R CA 1.918 57.763 56.100 -0.425 0.000 0.960 303 R CB -0.426 29.740 30.300 -0.223 0.000 0.856 303 R HN 0.173 nan 8.270 nan 0.000 0.436 304 S N 0.484 116.007 115.700 -0.294 0.000 2.383 304 S HA -0.116 4.354 4.470 0.000 0.000 0.229 304 S C 1.760 176.116 174.600 -0.406 0.000 1.030 304 S CA 1.384 59.408 58.200 -0.293 0.000 1.002 304 S CB -0.290 62.773 63.200 -0.228 0.000 0.829 304 S HN 0.264 nan 8.310 nan 0.000 0.467 305 L N -0.010 120.981 121.223 -0.386 0.000 1.976 305 L HA -0.169 4.172 4.340 0.000 0.000 0.209 305 L C 2.301 179.037 176.870 -0.223 0.000 1.071 305 L CA 1.747 56.451 54.840 -0.226 0.000 0.746 305 L CB -0.971 41.033 42.059 -0.092 0.000 0.890 305 L HN 0.393 nan 8.230 nan 0.000 0.432 306 Y N -0.051 119.958 120.300 -0.485 0.000 2.114 306 Y HA -0.325 4.226 4.550 0.000 0.000 0.282 306 Y C 2.687 178.320 175.900 -0.444 0.000 1.165 306 Y CA 0.619 58.171 58.100 -0.912 0.000 1.148 306 Y CB -0.364 37.804 38.460 -0.487 0.000 0.972 306 Y HN 0.157 nan 8.280 nan 0.000 0.504 307 L N -0.804 120.398 121.223 -0.034 0.000 2.127 307 L HA -0.257 4.083 4.340 0.000 0.000 0.211 307 L C 1.182 177.768 176.870 -0.472 0.000 1.089 307 L CA 1.502 56.243 54.840 -0.165 0.000 0.757 307 L CB -0.390 41.487 42.059 -0.303 0.000 0.899 307 L HN 0.405 nan 8.230 nan 0.000 0.434 308 H N -2.101 116.784 119.070 -0.308 0.000 2.594 308 H HA 0.154 4.710 4.556 0.000 0.000 0.279 308 H C 1.930 177.441 175.328 0.306 0.000 1.042 308 H CA 0.405 56.340 56.048 -0.189 0.000 1.177 308 H CB 0.250 29.475 29.762 -0.895 0.000 1.524 308 H HN 0.151 nan 8.280 nan 0.000 0.537 309 G N 0.700 109.629 108.800 0.216 0.000 2.448 309 G HA2 -0.303 3.657 3.960 0.000 0.000 0.219 309 G HA3 -0.303 3.657 3.960 0.000 0.000 0.219 309 G C 1.716 176.986 174.900 0.617 0.000 1.127 309 G CA 0.440 45.770 45.100 0.383 0.000 0.766 309 G HN 0.327 nan 8.290 nan 0.000 0.552 310 R N -1.104 119.670 120.500 0.457 0.000 2.152 310 R HA -0.049 4.291 4.340 0.000 0.000 0.232 310 R C 0.415 176.929 176.300 0.358 0.000 1.117 310 R CA -0.050 56.181 56.100 0.219 0.000 0.981 310 R CB -0.337 29.767 30.300 -0.327 0.000 0.870 310 R HN 0.347 nan 8.270 nan 0.000 0.451 311 Y N 2.247 122.814 120.300 0.446 0.000 2.544 311 Y HA -0.002 4.549 4.550 0.000 0.000 0.330 311 Y C -0.027 176.006 175.900 0.221 0.000 1.136 311 Y CA -0.043 58.319 58.100 0.436 0.000 1.417 311 Y CB 0.377 39.096 38.460 0.432 0.000 1.229 311 Y HN -0.074 nan 8.280 nan 0.000 0.532 312 R N 5.967 126.462 120.500 -0.008 0.000 2.442 312 R HA -0.014 4.326 4.340 0.000 0.000 0.291 312 R C 1.188 177.489 176.300 0.002 0.000 1.069 312 R CA -0.044 56.069 56.100 0.022 0.000 1.022 312 R CB 0.672 30.985 30.300 0.021 0.000 0.976 312 R HN 0.908 nan 8.270 nan 0.000 0.443 313 I N 3.339 123.941 120.570 0.053 0.000 2.335 313 I HA -0.242 3.928 4.170 0.000 0.000 0.251 313 I C 1.319 177.503 176.117 0.112 0.000 1.129 313 I CA 1.734 63.081 61.300 0.078 0.000 1.402 313 I CB 0.079 38.187 38.000 0.180 0.000 1.069 313 I HN 0.578 nan 8.210 nan 0.000 0.424 314 E N -0.298 119.946 120.200 0.073 0.000 2.204 314 E HA -0.245 4.105 4.350 0.000 0.000 0.194 314 E C 2.038 178.661 176.600 0.037 0.000 0.989 314 E CA 0.919 57.344 56.400 0.042 0.000 0.824 314 E CB -0.265 29.458 29.700 0.037 0.000 0.756 314 E HN 0.485 nan 8.360 nan 0.000 0.477 315 Q N 0.334 120.145 119.800 0.018 0.000 2.137 315 Q HA 0.022 4.362 4.340 0.000 0.000 0.198 315 Q C 1.838 177.921 176.000 0.138 0.000 0.960 315 Q CA 1.116 56.921 55.803 0.004 0.000 0.847 315 Q CB -0.095 28.494 28.738 -0.249 0.000 0.915 315 Q HN 0.346 nan 8.270 nan 0.000 0.448 316 I N 0.338 121.021 120.570 0.188 0.000 2.179 316 I HA -0.280 3.890 4.170 0.000 0.000 0.242 316 I C 2.032 178.281 176.117 0.219 0.000 1.088 316 I CA 1.454 62.907 61.300 0.255 0.000 1.357 316 I CB -0.275 37.813 38.000 0.147 0.000 1.051 316 I HN 0.306 nan 8.210 nan 0.000 0.409 317 E N 0.335 120.631 120.200 0.161 0.000 2.070 317 E HA -0.338 4.012 4.350 0.000 0.000 0.197 317 E C 2.168 178.771 176.600 0.005 0.000 1.004 317 E CA 1.476 57.860 56.400 -0.026 0.000 0.805 317 E CB -0.211 29.362 29.700 -0.211 0.000 0.744 317 E HN 0.499 nan 8.360 nan 0.000 0.451 318 Q N 0.518 120.341 119.800 0.038 0.000 2.084 318 Q HA -0.212 4.128 4.340 0.000 0.000 0.202 318 Q C 1.495 177.544 176.000 0.081 0.000 0.978 318 Q CA 1.579 57.411 55.803 0.049 0.000 0.844 318 Q CB 0.120 28.895 28.738 0.062 0.000 0.898 318 Q HN 0.207 nan 8.270 nan 0.000 0.426 319 D N 0.114 120.589 120.400 0.126 0.000 2.117 319 D HA -0.142 4.498 4.640 0.000 0.000 0.197 319 D C 1.536 177.903 176.300 0.110 0.000 0.987 319 D CA 0.879 54.959 54.000 0.133 0.000 0.829 319 D CB -0.122 40.788 40.800 0.182 0.000 0.961 319 D HN 0.222 nan 8.370 nan 0.000 0.460 320 Q N -0.153 119.724 119.800 0.127 0.000 2.515 320 Q HA 0.116 4.456 4.340 0.000 0.000 0.214 320 Q C 0.973 177.022 176.000 0.082 0.000 0.971 320 Q CA 0.555 56.433 55.803 0.125 0.000 0.952 320 Q CB 0.018 28.884 28.738 0.212 0.000 0.999 320 Q HN 0.375 nan 8.270 nan 0.000 0.524 321 G N 0.801 109.637 108.800 0.060 0.000 2.198 321 G HA2 -0.268 3.693 3.960 0.000 0.000 0.257 321 G HA3 -0.268 3.693 3.960 0.000 0.000 0.257 321 G C -0.043 174.866 174.900 0.015 0.000 1.042 321 G CA -0.002 45.122 45.100 0.040 0.000 0.791 321 G HN 0.310 nan 8.290 nan 0.000 0.502 322 L N 0.238 121.452 121.223 -0.014 0.000 2.399 322 L HA 0.421 4.761 4.340 0.000 0.000 0.266 322 L C 0.917 177.764 176.870 -0.038 0.000 1.114 322 L CA -0.780 54.028 54.840 -0.054 0.000 0.804 322 L CB 0.858 42.825 42.059 -0.152 0.000 1.146 322 L HN 0.520 nan 8.230 nan 0.000 0.451 323 N N 0.955 119.634 118.700 -0.036 0.000 2.476 323 N HA 0.317 5.057 4.740 0.000 0.000 0.275 323 N C 0.592 176.083 175.510 -0.033 0.000 1.190 323 N CA -0.145 52.892 53.050 -0.023 0.000 0.977 323 N CB 0.967 39.445 38.487 -0.015 0.000 1.200 323 N HN 0.604 nan 8.380 nan 0.000 0.515 324 A N 0.096 122.904 122.820 -0.019 0.000 1.997 324 A HA -0.228 4.092 4.320 0.000 0.000 0.221 324 A C 1.382 178.947 177.584 -0.031 0.000 1.172 324 A CA 1.437 53.462 52.037 -0.020 0.000 0.645 324 A CB -0.730 18.265 19.000 -0.007 0.000 0.813 324 A HN 0.777 nan 8.150 nan 0.000 0.454 325 E N 0.398 120.580 120.200 -0.030 0.000 2.511 325 E HA 0.009 4.359 4.350 0.000 0.000 0.196 325 E C 0.201 176.780 176.600 -0.035 0.000 1.066 325 E CA 0.298 56.680 56.400 -0.030 0.000 0.871 325 E CB -0.196 29.490 29.700 -0.024 0.000 0.863 325 E HN 0.800 nan 8.360 nan 0.000 0.520 326 Q N 0.313 120.079 119.800 -0.056 0.000 2.399 326 Q HA 0.552 4.892 4.340 0.000 0.000 0.276 326 Q C -0.365 175.554 176.000 -0.135 0.000 1.098 326 Q CA -0.682 55.073 55.803 -0.080 0.000 0.827 326 Q CB 2.312 30.999 28.738 -0.085 0.000 1.386 326 Q HN 0.085 nan 8.270 nan 0.000 0.443 327 S N -0.488 115.116 115.700 -0.160 0.000 2.656 327 S HA 0.526 4.996 4.470 0.000 0.000 0.273 327 S C -1.523 172.947 174.600 -0.217 0.000 1.168 327 S CA -0.860 57.202 58.200 -0.230 0.000 0.817 327 S CB 0.507 63.626 63.200 -0.135 0.000 1.146 327 S HN 0.514 nan 8.310 nan 0.000 0.475 328 Y N 0.797 121.054 120.300 -0.072 0.000 2.308 328 Y HA 0.500 5.050 4.550 0.000 0.000 0.329 328 Y C 0.067 175.838 175.900 -0.214 0.000 1.111 328 Y CA -0.838 57.206 58.100 -0.092 0.000 1.179 328 Y CB 0.837 39.251 38.460 -0.077 0.000 1.201 328 Y HN 0.659 nan 8.280 nan 0.000 0.483 329 F N 5.261 125.156 119.950 -0.091 0.000 2.462 329 F HA 0.267 4.794 4.527 0.000 0.000 0.360 329 F C -0.230 175.308 175.800 -0.436 0.000 1.134 329 F CA -1.130 56.734 58.000 -0.227 0.000 1.148 329 F CB 0.153 39.090 39.000 -0.106 0.000 1.147 329 F HN 0.434 nan 8.300 nan 0.000 0.550 330 M N 5.921 124.904 119.600 -1.027 0.000 3.396 330 M HA 0.170 4.651 4.480 0.000 0.000 0.255 330 M C -0.107 175.643 176.300 -0.917 0.000 1.398 330 M CA 0.098 54.483 55.300 -1.525 0.000 1.554 330 M CB -0.119 31.700 32.600 -1.302 0.000 1.070 330 M HN 0.531 nan 8.290 nan 0.000 0.587 331 S N 1.362 116.559 115.700 -0.837 0.000 2.548 331 S HA 0.664 5.134 4.470 0.000 0.000 0.276 331 S C -2.612 172.004 174.600 0.027 0.000 1.129 331 S CA -1.295 56.625 58.200 -0.468 0.000 0.931 331 S CB 1.629 64.252 63.200 -0.962 0.000 1.068 331 S HN 0.182 nan 8.310 nan 0.000 0.480 332 P HA 0.400 nan 4.420 nan 0.000 0.272 332 P C -1.427 176.062 177.300 0.314 0.000 1.240 332 P CA -0.188 63.019 63.100 0.178 0.000 0.791 332 P CB 0.274 32.169 31.700 0.325 0.000 0.978 333 F N 1.538 121.547 119.950 0.099 0.000 2.557 333 F HA 0.554 5.081 4.527 0.000 0.000 0.316 333 F C -1.084 174.877 175.800 0.268 0.000 1.141 333 F CA -0.866 57.238 58.000 0.174 0.000 0.922 333 F CB 1.042 40.054 39.000 0.021 0.000 1.194 333 F HN 0.119 nan 8.300 nan 0.000 0.443 334 I N 5.606 126.217 120.570 0.068 0.000 2.441 334 I HA 0.465 4.636 4.170 0.000 0.000 0.295 334 I C -1.519 174.712 176.117 0.190 0.000 0.994 334 I CA -0.545 60.941 61.300 0.310 0.000 1.144 334 I CB 1.347 39.555 38.000 0.348 0.000 1.314 334 I HN 0.691 nan 8.210 nan 0.000 0.445 335 N N 7.095 126.031 118.700 0.394 0.000 2.296 335 N HA 0.499 5.240 4.740 0.000 0.000 0.294 335 N C -1.389 174.316 175.510 0.325 0.000 1.033 335 N CA -0.543 52.726 53.050 0.365 0.000 0.839 335 N CB 1.599 40.351 38.487 0.442 0.000 1.395 335 N HN 0.353 nan 8.380 nan 0.000 0.479 336 I N 3.909 124.607 120.570 0.214 0.000 2.339 336 I HA 0.315 4.485 4.170 0.000 0.000 0.290 336 I C -0.516 175.623 176.117 0.036 0.000 0.994 336 I CA -0.447 60.948 61.300 0.157 0.000 1.191 336 I CB 1.088 39.091 38.000 0.006 0.000 1.343 336 I HN 0.469 nan 8.210 nan 0.000 0.458 337 L N 8.647 129.916 121.223 0.075 0.000 2.435 337 L HA 0.296 4.636 4.340 0.000 0.000 0.253 337 L C -1.424 175.429 176.870 -0.028 0.000 1.087 337 L CA -1.134 53.687 54.840 -0.032 0.000 0.950 337 L CB 1.212 43.315 42.059 0.073 0.000 1.304 337 L HN 0.343 nan 8.230 nan 0.000 0.453 338 P HA -0.097 nan 4.420 nan 0.000 0.217 338 P C 0.695 178.064 177.300 0.114 0.000 1.154 338 P CA 0.457 63.559 63.100 0.004 0.000 0.841 338 P CB 0.179 31.805 31.700 -0.123 0.000 0.790 339 F N 1.706 121.738 119.950 0.136 0.000 2.635 339 F HA -0.058 4.470 4.527 0.000 0.000 0.379 339 F C 1.398 177.264 175.800 0.109 0.000 1.094 339 F CA -0.360 57.699 58.000 0.097 0.000 1.300 339 F CB -0.096 38.934 39.000 0.051 0.000 1.035 339 F HN -0.041 nan 8.300 nan 0.000 0.581 340 E N 1.245 121.623 120.200 0.296 0.000 2.312 340 E HA 0.241 4.591 4.350 0.000 0.000 0.259 340 E C -0.253 176.448 176.600 0.170 0.000 1.122 340 E CA -0.815 55.706 56.400 0.202 0.000 0.922 340 E CB 1.032 30.826 29.700 0.157 0.000 1.109 340 E HN 0.624 nan 8.360 nan 0.000 0.442 341 S N 0.765 116.553 115.700 0.147 0.000 2.603 341 S HA 0.287 4.757 4.470 0.000 0.000 0.268 341 S C -2.373 172.287 174.600 0.099 0.000 1.317 341 S CA -1.411 56.877 58.200 0.147 0.000 1.012 341 S CB 0.296 63.590 63.200 0.156 0.000 0.926 341 S HN 0.176 nan 8.310 nan 0.000 0.539 342 P HA 0.232 nan 4.420 nan 0.000 0.269 342 P C -0.836 176.354 177.300 -0.184 0.000 1.209 342 P CA 0.138 63.184 63.100 -0.090 0.000 0.776 342 P CB 0.178 31.859 31.700 -0.032 0.000 0.876 343 H N 1.734 120.483 119.070 -0.536 0.000 2.469 343 H HA 0.628 5.184 4.556 0.000 0.000 0.342 343 H C -1.418 173.420 175.328 -0.816 0.000 1.115 343 H CA -0.604 55.179 56.048 -0.443 0.000 1.204 343 H CB 0.369 30.009 29.762 -0.203 0.000 1.492 343 H HN 0.166 nan 8.280 nan 0.000 0.499 344 F N 2.871 122.386 119.950 -0.726 0.000 2.539 344 F HA 0.508 5.035 4.527 0.000 0.000 0.318 344 F C 0.234 175.699 175.800 -0.557 0.000 1.135 344 F CA -0.931 56.743 58.000 -0.543 0.000 0.915 344 F CB 1.453 40.133 39.000 -0.533 0.000 1.176 344 F HN 0.797 nan 8.300 nan 0.000 0.440 345 A N 2.746 125.504 122.820 -0.103 0.000 2.608 345 A HA 0.041 4.361 4.320 0.000 0.000 0.246 345 A C 0.717 178.343 177.584 0.071 0.000 0.998 345 A CA 0.630 52.689 52.037 0.037 0.000 0.796 345 A CB -0.428 18.665 19.000 0.156 0.000 0.895 345 A HN 0.945 nan 8.150 nan 0.000 0.508 346 D N -0.482 119.971 120.400 0.088 0.000 2.911 346 D HA -0.182 4.458 4.640 0.000 0.000 0.227 346 D C -0.091 176.257 176.300 0.080 0.000 1.164 346 D CA 1.442 55.499 54.000 0.095 0.000 0.782 346 D CB -2.098 38.757 40.800 0.091 0.000 1.094 346 D HN 0.615 nan 8.370 nan 0.000 0.425 347 C N -0.013 119.325 119.300 0.064 0.000 2.971 347 C HA 0.460 4.921 4.460 0.000 0.000 0.310 347 C C -0.019 175.033 174.990 0.102 0.000 1.285 347 C CA -0.879 58.178 59.018 0.065 0.000 1.593 347 C CB 2.648 30.412 27.740 0.039 0.000 2.076 347 C HN 0.072 nan 8.230 nan 0.000 0.472 348 Q N 0.969 120.827 119.800 0.097 0.000 2.293 348 Q HA 0.473 4.813 4.340 0.000 0.000 0.261 348 Q C -0.887 175.190 176.000 0.129 0.000 0.960 348 Q CA 0.164 56.035 55.803 0.114 0.000 0.882 348 Q CB 2.001 30.788 28.738 0.082 0.000 1.275 348 Q HN 0.749 nan 8.270 nan 0.000 0.445 349 T N 2.441 117.092 114.554 0.161 0.000 2.788 349 T HA 0.226 4.576 4.350 0.000 0.000 0.296 349 T C -0.336 174.450 174.700 0.143 0.000 1.009 349 T CA -0.406 61.802 62.100 0.179 0.000 0.949 349 T CB 0.546 69.558 68.868 0.239 0.000 0.946 349 T HN 0.419 nan 8.240 nan 0.000 0.453 350 E N 4.712 124.991 120.200 0.132 0.000 2.103 350 E HA 0.340 4.690 4.350 0.000 0.000 0.254 350 E C -0.548 176.132 176.600 0.134 0.000 0.940 350 E CA -0.473 55.998 56.400 0.119 0.000 0.771 350 E CB 0.503 30.268 29.700 0.108 0.000 1.153 350 E HN 0.541 nan 8.360 nan 0.000 0.428 351 L N 4.158 125.457 121.223 0.127 0.000 2.397 351 L HA 0.328 4.669 4.340 0.000 0.000 0.271 351 L C -0.563 176.354 176.870 0.078 0.000 1.148 351 L CA 0.136 55.047 54.840 0.120 0.000 0.825 351 L CB 0.477 42.604 42.059 0.115 0.000 1.117 351 L HN 0.418 nan 8.230 nan 0.000 0.456 352 K N 3.528 123.970 120.400 0.070 0.000 2.565 352 K HA 0.365 4.685 4.320 0.000 0.000 0.249 352 K C -1.586 175.001 176.600 -0.021 0.000 0.958 352 K CA -0.720 55.599 56.287 0.055 0.000 0.806 352 K CB 1.958 34.554 32.500 0.160 0.000 1.194 352 K HN 0.390 nan 8.250 nan 0.000 0.434 353 V N 6.812 126.667 119.914 -0.099 0.000 2.405 353 V HA 0.108 4.228 4.120 0.000 0.000 0.264 353 V C 1.008 177.129 176.094 0.044 0.000 1.048 353 V CA -0.088 62.137 62.300 -0.124 0.000 0.966 353 V CB 0.680 32.429 31.823 -0.124 0.000 1.015 353 V HN 0.772 nan 8.190 nan 0.000 0.477 354 L N 3.968 125.269 121.223 0.130 0.000 2.567 354 L HA 0.557 4.897 4.340 0.000 0.000 0.225 354 L C 0.814 177.757 176.870 0.123 0.000 1.119 354 L CA 0.461 55.398 54.840 0.161 0.000 0.871 354 L CB 0.083 42.305 42.059 0.271 0.000 1.036 354 L HN 0.735 nan 8.230 nan 0.000 0.459 355 A N -0.473 122.414 122.820 0.112 0.000 2.560 355 A HA 0.521 4.842 4.320 0.000 0.000 0.300 355 A C -0.053 177.586 177.584 0.090 0.000 1.062 355 A CA -0.226 51.857 52.037 0.077 0.000 0.767 355 A CB 0.785 19.820 19.000 0.059 0.000 1.288 355 A HN 0.027 nan 8.150 nan 0.000 0.396 356 S N 0.765 116.511 115.700 0.076 0.000 3.082 356 S HA 0.561 5.031 4.470 0.000 0.000 0.253 356 S C 0.770 175.433 174.600 0.105 0.000 0.961 356 S CA 0.405 58.672 58.200 0.111 0.000 1.129 356 S CB -0.054 63.212 63.200 0.109 0.000 1.083 356 S HN 2.724 nan 8.310 nan 0.000 0.605 357 G N 2.200 111.038 108.800 0.063 0.000 2.825 357 G HA2 -0.079 3.881 3.960 0.000 0.000 0.686 357 G HA3 -0.079 3.881 3.960 0.000 0.000 0.686 357 G C -0.239 174.644 174.900 -0.029 0.000 1.362 357 G CA -0.453 44.659 45.100 0.020 0.000 0.975 357 G HN 1.346 nan 8.290 nan 0.000 0.594 358 S N 0.652 116.319 115.700 -0.055 0.000 2.576 358 S HA 0.781 5.251 4.470 0.000 0.000 0.276 358 S C 0.557 175.102 174.600 -0.092 0.000 1.339 358 S CA 0.410 58.570 58.200 -0.068 0.000 1.039 358 S CB 1.990 65.149 63.200 -0.069 0.000 0.902 358 S HN 2.302 nan 8.310 nan 0.000 0.516 359 A N 0.889 123.647 122.820 -0.103 0.000 2.401 359 A HA 0.834 5.155 4.320 0.000 0.000 0.310 359 A C 0.033 177.546 177.584 -0.119 0.000 1.075 359 A CA -0.448 51.490 52.037 -0.164 0.000 0.746 359 A CB 0.801 19.653 19.000 -0.247 0.000 1.277 359 A HN 1.190 nan 8.150 nan 0.000 0.425 360 E N -0.010 120.097 120.200 -0.155 0.000 2.322 360 E HA 0.667 5.017 4.350 0.000 0.000 0.257 360 E C 1.203 177.711 176.600 -0.153 0.000 1.155 360 E CA 0.268 56.606 56.400 -0.103 0.000 0.936 360 E CB -0.049 29.546 29.700 -0.175 0.000 1.130 360 E HN 2.683 nan 8.360 nan 0.000 0.465 361 G N -0.672 108.165 108.800 0.061 0.000 2.582 361 G HA2 -0.218 3.742 3.960 0.000 0.000 0.288 361 G HA3 -0.218 3.742 3.960 0.000 0.000 0.288 361 G C 0.421 175.116 174.900 -0.343 0.000 1.247 361 G CA 0.434 45.528 45.100 -0.010 0.000 0.972 361 G HN 1.570 nan 8.290 nan 0.000 0.557 362 I N 0.810 121.003 120.570 -0.628 0.000 2.569 362 I HA 0.576 4.746 4.170 0.000 0.000 0.296 362 I C -1.045 174.738 176.117 -0.557 0.000 1.028 362 I CA -1.109 59.737 61.300 -0.757 0.000 1.082 362 I CB 1.707 38.950 38.000 -1.263 0.000 1.264 362 I HN 0.595 nan 8.210 nan 0.000 0.429 363 N N 6.671 125.079 118.700 -0.488 0.000 2.258 363 N HA 0.434 5.174 4.740 0.000 0.000 0.299 363 N C -1.745 173.549 175.510 -0.360 0.000 1.047 363 N CA -0.248 52.622 53.050 -0.300 0.000 0.814 363 N CB 2.015 40.448 38.487 -0.090 0.000 1.413 363 N HN 0.360 nan 8.380 nan 0.000 0.478 364 F N 0.636 120.694 119.950 0.182 0.000 2.375 364 F HA 0.328 4.855 4.527 0.000 0.000 0.361 364 F C 0.644 176.530 175.800 0.143 0.000 1.117 364 F CA -0.490 57.608 58.000 0.163 0.000 1.037 364 F CB 1.600 40.804 39.000 0.341 0.000 1.192 364 F HN 0.045 nan 8.300 nan 0.000 0.452 365 T N 4.197 118.830 114.554 0.132 0.000 2.792 365 T HA 0.444 4.795 4.350 0.000 0.000 0.280 365 T C -0.835 173.817 174.700 -0.081 0.000 0.990 365 T CA -0.487 61.689 62.100 0.126 0.000 0.960 365 T CB 0.526 69.467 68.868 0.122 0.000 0.939 365 T HN 0.158 nan 8.240 nan 0.000 0.439 366 F N 3.186 123.231 119.950 0.158 0.000 2.334 366 F HA 0.462 4.990 4.527 0.000 0.000 0.367 366 F C 0.974 176.842 175.800 0.114 0.000 1.115 366 F CA -0.878 57.193 58.000 0.118 0.000 1.116 366 F CB 0.766 39.858 39.000 0.152 0.000 1.230 366 F HN 0.186 nan 8.300 nan 0.000 0.484 367 R N 2.200 122.804 120.500 0.174 0.000 2.294 367 R HA 0.739 5.079 4.340 0.000 0.000 0.319 367 R C 0.439 176.814 176.300 0.125 0.000 0.984 367 R CA -0.232 55.950 56.100 0.138 0.000 0.861 367 R CB 1.420 31.768 30.300 0.080 0.000 1.104 367 R HN 0.887 nan 8.270 nan 0.000 0.451 368 G N 0.689 109.575 108.800 0.142 0.000 2.295 368 G HA2 -0.049 3.911 3.960 0.000 0.000 0.195 368 G HA3 -0.049 3.911 3.960 0.000 0.000 0.195 368 G C -1.168 173.785 174.900 0.089 0.000 1.269 368 G CA -0.231 44.931 45.100 0.104 0.000 1.170 368 G HN 0.660 nan 8.290 nan 0.000 0.511 369 S N 0.301 115.948 115.700 -0.089 0.000 2.563 369 S HA 0.677 5.147 4.470 0.000 0.000 0.279 369 S C -1.874 172.391 174.600 -0.558 0.000 1.155 369 S CA 0.196 58.184 58.200 -0.352 0.000 0.928 369 S CB 2.277 65.359 63.200 -0.197 0.000 1.107 369 S HN 0.582 nan 8.310 nan 0.000 0.462 370 P HA -0.103 nan 4.420 nan 0.000 0.219 370 P C 1.673 178.693 177.300 -0.467 0.000 1.146 370 P CA 2.019 64.708 63.100 -0.684 0.000 0.808 370 P CB -0.118 31.051 31.700 -0.885 0.000 0.779 371 Q N 0.086 119.568 119.800 -0.531 0.000 2.135 371 Q HA -0.212 4.129 4.340 0.000 0.000 0.204 371 Q C 1.773 177.581 176.000 -0.319 0.000 0.981 371 Q CA 1.653 57.188 55.803 -0.445 0.000 0.856 371 Q CB -1.211 27.169 28.738 -0.597 0.000 0.902 371 Q HN 0.508 nan 8.270 nan 0.000 0.425 372 H N -1.956 117.040 119.070 -0.123 0.000 5.131 372 H HA 0.516 5.072 4.556 0.000 0.000 0.094 372 H C -0.216 175.052 175.328 -0.100 0.000 1.308 372 H CA 0.228 56.226 56.048 -0.083 0.000 0.586 372 H CB 0.099 29.833 29.762 -0.046 0.000 1.644 372 H HN 0.554 nan 8.280 nan 0.000 0.173 373 E N 1.065 121.314 120.200 0.083 0.000 2.266 373 E HA 0.543 4.894 4.350 0.000 0.000 0.268 373 E C -1.316 175.267 176.600 -0.028 0.000 0.879 373 E CA -0.633 55.765 56.400 -0.003 0.000 0.762 373 E CB 2.066 31.777 29.700 0.019 0.000 1.199 373 E HN 0.392 nan 8.360 nan 0.000 0.422 374 L N 0.474 121.661 121.223 -0.061 0.000 2.472 374 L HA 0.777 5.117 4.340 0.000 0.000 0.260 374 L C -1.483 175.367 176.870 -0.034 0.000 0.963 374 L CA -0.975 53.845 54.840 -0.033 0.000 0.829 374 L CB 1.744 43.767 42.059 -0.061 0.000 1.348 374 L HN 0.500 nan 8.230 nan 0.000 0.408 375 C N 2.947 122.239 119.300 -0.015 0.000 2.441 375 C HA 0.647 5.107 4.460 0.000 0.000 0.318 375 C C -0.008 174.900 174.990 -0.136 0.000 1.222 375 C CA -0.668 58.312 59.018 -0.063 0.000 1.474 375 C CB 1.292 29.009 27.740 -0.038 0.000 2.125 375 C HN 0.757 nan 8.230 nan 0.000 0.479 376 L N 2.887 123.956 121.223 -0.256 0.000 2.367 376 L HA 0.470 4.811 4.340 0.000 0.000 0.275 376 L C -0.640 176.074 176.870 -0.260 0.000 1.129 376 L CA 0.917 55.449 54.840 -0.514 0.000 0.839 376 L CB 0.148 41.845 42.059 -0.604 0.000 1.133 376 L HN 0.606 nan 8.230 nan 0.000 0.453 377 D N 5.543 125.811 120.400 -0.219 0.000 2.453 377 D HA 0.378 5.018 4.640 0.000 0.000 0.238 377 D C -0.644 175.681 176.300 0.042 0.000 1.088 377 D CA -0.019 53.955 54.000 -0.042 0.000 0.854 377 D CB 1.006 41.800 40.800 -0.010 0.000 1.076 377 D HN 0.305 nan 8.370 nan 0.000 0.533 378 I N 2.706 123.351 120.570 0.126 0.000 2.297 378 I HA 0.277 4.448 4.170 0.000 0.000 0.291 378 I C 0.312 176.624 176.117 0.326 0.000 1.033 378 I CA -0.220 61.201 61.300 0.202 0.000 1.253 378 I CB 0.546 38.700 38.000 0.257 0.000 1.396 378 I HN 0.120 nan 8.210 nan 0.000 0.476 379 T N 5.231 119.875 114.554 0.150 0.000 2.863 379 T HA 0.832 5.182 4.350 0.000 0.000 0.285 379 T C -0.161 174.494 174.700 -0.074 0.000 1.009 379 T CA -0.591 61.561 62.100 0.087 0.000 0.989 379 T CB 2.470 71.334 68.868 -0.007 0.000 1.004 379 T HN 0.734 nan 8.240 nan 0.000 0.455 380 A N 1.600 124.266 122.820 -0.256 0.000 2.539 380 A HA 0.700 5.020 4.320 0.000 0.000 0.296 380 A C -1.479 175.973 177.584 -0.220 0.000 1.073 380 A CA -0.775 51.092 52.037 -0.284 0.000 0.700 380 A CB 1.614 20.445 19.000 -0.282 0.000 1.296 380 A HN 0.695 nan 8.150 nan 0.000 0.405 381 D N 2.047 122.404 120.400 -0.072 0.000 2.443 381 D HA 0.379 5.019 4.640 0.000 0.000 0.221 381 D C 0.875 177.239 176.300 0.106 0.000 1.097 381 D CA -0.357 53.653 54.000 0.017 0.000 0.865 381 D CB 0.376 41.213 40.800 0.062 0.000 1.034 381 D HN 0.381 nan 8.370 nan 0.000 0.511 382 L N 2.672 123.939 121.223 0.074 0.000 2.187 382 L HA -0.115 4.225 4.340 0.000 0.000 0.213 382 L C 2.040 178.958 176.870 0.081 0.000 1.100 382 L CA 1.117 56.003 54.840 0.076 0.000 0.765 382 L CB -0.347 41.718 42.059 0.010 0.000 0.904 382 L HN 0.446 nan 8.230 nan 0.000 0.437 383 A N -0.650 122.237 122.820 0.111 0.000 2.235 383 A HA 0.003 4.323 4.320 0.000 0.000 0.208 383 A C 1.749 179.442 177.584 0.182 0.000 1.172 383 A CA 1.115 53.221 52.037 0.115 0.000 0.786 383 A CB -0.203 18.865 19.000 0.113 0.000 0.804 383 A HN 0.497 nan 8.150 nan 0.000 0.479 384 S N -3.471 112.338 115.700 0.182 0.000 2.904 384 S HA 0.393 4.863 4.470 0.000 0.000 0.260 384 S C -0.494 174.252 174.600 0.243 0.000 1.000 384 S CA -0.385 57.896 58.200 0.135 0.000 1.274 384 S CB -0.338 62.900 63.200 0.063 0.000 1.196 384 S HN 0.393 nan 8.310 nan 0.000 0.678 385 Y N 1.495 121.847 120.300 0.086 0.000 2.480 385 Y HA 0.517 5.067 4.550 0.000 0.000 0.329 385 Y C -3.252 172.736 175.900 0.147 0.000 1.127 385 Y CA -1.686 56.496 58.100 0.137 0.000 1.037 385 Y CB 1.709 40.263 38.460 0.157 0.000 1.320 385 Y HN -0.065 nan 8.280 nan 0.000 0.446 386 P HA 0.026 nan 4.420 nan 0.000 0.260 386 P C 0.341 177.716 177.300 0.125 0.000 1.207 386 P CA 0.458 63.516 63.100 -0.070 0.000 0.780 386 P CB 0.763 32.463 31.700 0.001 0.000 0.789 387 Q N 3.671 123.575 119.800 0.174 0.000 2.197 387 Q HA -0.255 4.085 4.340 0.000 0.000 0.207 387 Q C 1.674 177.892 176.000 0.363 0.000 0.984 387 Q CA 2.295 58.278 55.803 0.301 0.000 0.869 387 Q CB -0.130 28.721 28.738 0.189 0.000 0.906 387 Q HN 0.526 nan 8.270 nan 0.000 0.426 388 S N -0.167 115.630 115.700 0.161 0.000 2.344 388 S HA -0.229 4.242 4.470 0.000 0.000 0.217 388 S C 1.808 176.451 174.600 0.071 0.000 1.033 388 S CA 1.212 59.441 58.200 0.048 0.000 1.017 388 S CB -0.973 62.147 63.200 -0.133 0.000 0.941 388 S HN 0.550 nan 8.310 nan 0.000 0.430 389 H N -0.407 118.738 119.070 0.126 0.000 2.390 389 H HA -0.134 4.422 4.556 0.000 0.000 0.298 389 H C 1.802 177.408 175.328 0.464 0.000 1.106 389 H CA 1.706 57.859 56.048 0.174 0.000 1.297 389 H CB -0.631 29.151 29.762 0.033 0.000 1.375 389 H HN 0.729 nan 8.280 nan 0.000 0.509 390 W N 2.123 123.745 121.300 0.537 0.000 2.353 390 W HA -0.193 4.467 4.660 0.000 0.000 0.319 390 W C 2.493 179.226 176.519 0.358 0.000 1.207 390 W CA 1.634 59.294 57.345 0.524 0.000 1.291 390 W CB -0.482 29.220 29.460 0.403 0.000 1.159 390 W HN 0.107 nan 8.180 nan 0.000 0.478 391 Q N -0.188 119.637 119.800 0.042 0.000 2.170 391 Q HA -0.219 4.121 4.340 0.000 0.000 0.203 391 Q C 2.492 178.429 176.000 -0.106 0.000 0.976 391 Q CA 1.839 57.494 55.803 -0.247 0.000 0.858 391 Q CB -0.505 28.216 28.738 -0.028 0.000 0.907 391 Q HN 0.323 nan 8.270 nan 0.000 0.433 392 S N -0.260 115.448 115.700 0.013 0.000 2.353 392 S HA -0.221 4.249 4.470 0.000 0.000 0.222 392 S C 1.773 176.400 174.600 0.044 0.000 1.035 392 S CA 1.118 59.319 58.200 0.001 0.000 1.025 392 S CB -0.222 62.962 63.200 -0.026 0.000 0.902 392 S HN 0.490 nan 8.310 nan 0.000 0.440 393 H N 0.042 119.221 119.070 0.182 0.000 2.387 393 H HA -0.077 4.479 4.556 0.000 0.000 0.299 393 H C 2.536 177.973 175.328 0.182 0.000 1.099 393 H CA 1.513 57.736 56.048 0.291 0.000 1.315 393 H CB -0.891 29.137 29.762 0.444 0.000 1.380 393 H HN 0.460 nan 8.280 nan 0.000 0.513 394 C N 0.509 119.840 119.300 0.051 0.000 2.425 394 C HA -0.103 4.357 4.460 0.000 0.000 0.277 394 C C 3.064 178.069 174.990 0.025 0.000 1.280 394 C CA 1.557 60.538 59.018 -0.062 0.000 1.744 394 C CB -0.904 26.603 27.740 -0.388 0.000 1.989 394 C HN 0.817 nan 8.230 nan 0.000 0.491 395 E N 0.153 120.372 120.200 0.031 0.000 2.102 395 E HA -0.080 4.271 4.350 0.000 0.000 0.190 395 E C 2.017 178.689 176.600 0.121 0.000 0.971 395 E CA 0.706 57.139 56.400 0.055 0.000 0.821 395 E CB -0.509 29.207 29.700 0.027 0.000 0.777 395 E HN 0.693 nan 8.360 nan 0.000 0.460 396 R N -1.565 119.036 120.500 0.168 0.000 2.153 396 R HA 0.046 4.387 4.340 0.000 0.000 0.218 396 R C 2.028 178.522 176.300 0.323 0.000 1.072 396 R CA 0.840 57.088 56.100 0.246 0.000 0.990 396 R CB -0.252 30.197 30.300 0.248 0.000 0.889 396 R HN 0.386 nan 8.270 nan 0.000 0.452 397 F N 1.821 121.768 119.950 -0.004 0.000 2.113 397 F HA 0.071 4.599 4.527 0.000 0.000 0.297 397 F C -1.123 174.581 175.800 -0.160 0.000 1.103 397 F CA 0.198 57.886 58.000 -0.520 0.000 1.248 397 F CB -1.155 37.542 39.000 -0.504 0.000 0.999 397 F HN -0.036 nan 8.300 nan 0.000 0.475 398 P HA -0.187 nan 4.420 nan 0.000 0.215 398 P C 1.743 179.189 177.300 0.243 0.000 1.157 398 P CA 2.051 65.288 63.100 0.228 0.000 0.868 398 P CB -0.205 31.576 31.700 0.134 0.000 0.788 399 R N -0.881 119.735 120.500 0.194 0.000 2.119 399 R HA -0.223 4.117 4.340 0.000 0.000 0.246 399 R C 2.163 178.563 176.300 0.168 0.000 1.146 399 R CA 1.722 57.919 56.100 0.161 0.000 0.962 399 R CB -1.141 29.248 30.300 0.149 0.000 0.863 399 R HN 0.106 nan 8.270 nan 0.000 0.442 400 F N 0.062 120.035 119.950 0.039 0.000 2.192 400 F HA -0.214 4.314 4.527 0.000 0.000 0.301 400 F C 1.341 177.064 175.800 -0.127 0.000 1.079 400 F CA 1.585 59.559 58.000 -0.044 0.000 1.303 400 F CB -0.165 38.782 39.000 -0.090 0.000 1.024 400 F HN 0.026 nan 8.300 nan 0.000 0.494 401 F N 0.264 120.323 119.950 0.182 0.000 2.473 401 F HA 0.003 4.530 4.527 0.000 0.000 0.294 401 F C 2.190 177.976 175.800 -0.023 0.000 1.103 401 F CA 0.582 58.612 58.000 0.050 0.000 1.442 401 F CB -0.212 38.836 39.000 0.080 0.000 1.097 401 F HN -0.053 nan 8.300 nan 0.000 0.547 402 E N 0.011 120.309 120.200 0.163 0.000 2.158 402 E HA -0.180 4.170 4.350 0.000 0.000 0.191 402 E C 1.934 178.554 176.600 0.034 0.000 0.982 402 E CA 0.686 57.141 56.400 0.092 0.000 0.823 402 E CB -0.160 29.589 29.700 0.082 0.000 0.766 402 E HN 0.561 nan 8.360 nan 0.000 0.468 403 Q N 0.454 120.240 119.800 -0.024 0.000 2.046 403 Q HA -0.141 4.200 4.340 0.000 0.000 0.200 403 Q C 2.308 178.251 176.000 -0.095 0.000 0.975 403 Q CA 0.814 56.572 55.803 -0.075 0.000 0.836 403 Q CB -0.071 28.583 28.738 -0.139 0.000 0.896 403 Q HN 0.158 nan 8.270 nan 0.000 0.428 404 L N 0.902 122.022 121.223 -0.172 0.000 2.046 404 L HA -0.165 4.175 4.340 0.000 0.000 0.208 404 L C 2.057 178.935 176.870 0.014 0.000 1.077 404 L CA 1.448 56.213 54.840 -0.125 0.000 0.747 404 L CB -0.520 41.443 42.059 -0.161 0.000 0.896 404 L HN 0.249 nan 8.230 nan 0.000 0.432 405 L N -1.223 120.029 121.223 0.047 0.000 2.083 405 L HA -0.141 4.199 4.340 0.000 0.000 0.209 405 L C 2.340 179.295 176.870 0.142 0.000 1.083 405 L CA 1.407 56.306 54.840 0.099 0.000 0.752 405 L CB -0.321 41.785 42.059 0.078 0.000 0.899 405 L HN 0.351 nan 8.230 nan 0.000 0.433 406 A N -0.186 122.682 122.820 0.080 0.000 1.874 406 A HA -0.194 4.126 4.320 0.000 0.000 0.214 406 A C 2.396 180.016 177.584 0.061 0.000 1.189 406 A CA 1.208 53.282 52.037 0.061 0.000 0.615 406 A CB -0.563 18.455 19.000 0.030 0.000 0.830 406 A HN 0.431 nan 8.150 nan 0.000 0.443 407 R N -1.819 118.713 120.500 0.054 0.000 2.241 407 R HA -0.117 4.223 4.340 0.000 0.000 0.224 407 R C 1.665 178.031 176.300 0.111 0.000 1.101 407 R CA 1.243 57.373 56.100 0.049 0.000 0.995 407 R CB -0.286 30.025 30.300 0.018 0.000 0.870 407 R HN 0.537 nan 8.270 nan 0.000 0.463 408 F N 1.102 121.039 119.950 -0.022 0.000 2.104 408 F HA -0.078 4.450 4.527 0.000 0.000 0.288 408 F C 2.757 178.551 175.800 -0.010 0.000 1.107 408 F CA 2.146 60.139 58.000 -0.013 0.000 1.208 408 F CB -1.028 37.968 39.000 -0.008 0.000 1.033 408 F HN 0.041 nan 8.300 nan 0.000 0.478 409 Q N 0.487 120.267 119.800 -0.033 0.000 2.152 409 Q HA -0.218 4.122 4.340 0.000 0.000 0.206 409 Q C 1.931 177.849 176.000 -0.137 0.000 0.985 409 Q CA 2.467 58.183 55.803 -0.144 0.000 0.863 409 Q CB -2.069 26.660 28.738 -0.014 0.000 0.904 409 Q HN 0.703 nan 8.270 nan 0.000 0.422 410 Q N -0.511 119.249 119.800 -0.067 0.000 2.547 410 Q HA 0.382 4.723 4.340 0.000 0.000 0.217 410 Q C 1.316 177.272 176.000 -0.074 0.000 0.978 410 Q CA 1.239 57.010 55.803 -0.054 0.000 0.962 410 Q CB -0.270 28.456 28.738 -0.020 0.000 0.990 410 Q HN 0.793 nan 8.270 nan 0.000 0.538 411 V N 0.174 120.007 119.914 -0.135 0.000 3.157 411 V HA 0.135 4.255 4.120 0.000 0.000 0.361 411 V C -0.321 175.647 176.094 -0.210 0.000 1.421 411 V CA 0.052 62.272 62.300 -0.134 0.000 1.213 411 V CB -0.399 31.370 31.823 -0.090 0.000 1.164 411 V HN 0.765 nan 8.190 nan 0.000 0.559 412 E N 0.591 120.654 120.200 -0.230 0.000 2.230 412 E HA -0.316 4.034 4.350 0.000 0.000 0.206 412 E C 0.427 176.810 176.600 -0.363 0.000 1.309 412 E CA 0.418 56.678 56.400 -0.233 0.000 0.697 412 E CB -1.244 28.373 29.700 -0.138 0.000 1.146 412 E HN 0.724 nan 8.360 nan 0.000 0.363 413 Q N -0.981 118.383 119.800 -0.726 0.000 2.374 413 Q HA -0.255 4.085 4.340 0.000 0.000 0.281 413 Q C -0.147 175.535 176.000 -0.530 0.000 1.154 413 Q CA 1.496 56.582 55.803 -1.195 0.000 0.926 413 Q CB -0.663 27.764 28.738 -0.520 0.000 1.308 413 Q HN 0.515 nan 8.270 nan 0.000 0.520 414 D N -0.464 119.727 120.400 -0.349 0.000 2.470 414 D HA 0.127 4.767 4.640 0.000 0.000 0.226 414 D C 0.921 177.275 176.300 0.091 0.000 1.196 414 D CA -0.101 53.854 54.000 -0.075 0.000 0.979 414 D CB 0.342 41.102 40.800 -0.066 0.000 1.059 414 D HN 0.040 nan 8.370 nan 0.000 0.515 415 V N 3.880 123.931 119.914 0.228 0.000 2.250 415 V HA -0.350 3.770 4.120 0.000 0.000 0.253 415 V C 2.548 178.737 176.094 0.158 0.000 1.065 415 V CA 2.396 64.870 62.300 0.289 0.000 1.039 415 V CB -1.019 30.925 31.823 0.201 0.000 0.647 415 V HN 0.648 nan 8.190 nan 0.000 0.446 416 A N -0.236 122.643 122.820 0.098 0.000 2.070 416 A HA -0.138 4.182 4.320 0.000 0.000 0.220 416 A C 2.444 180.063 177.584 0.059 0.000 1.159 416 A CA 2.256 54.332 52.037 0.066 0.000 0.656 416 A CB -0.612 18.415 19.000 0.045 0.000 0.800 416 A HN 0.598 nan 8.150 nan 0.000 0.453 417 R N -1.155 119.382 120.500 0.061 0.000 2.080 417 R HA 0.317 4.658 4.340 0.000 0.000 0.222 417 R C 2.518 178.856 176.300 0.064 0.000 1.107 417 R CA 1.675 57.802 56.100 0.045 0.000 0.980 417 R CB -1.978 28.334 30.300 0.019 0.000 0.879 417 R HN 1.000 nan 8.270 nan 0.000 0.439 418 L N 0.471 121.762 121.223 0.113 0.000 2.042 418 L HA 0.273 4.613 4.340 0.000 0.000 0.210 418 L C 3.184 180.107 176.870 0.087 0.000 1.076 418 L CA 2.682 57.602 54.840 0.133 0.000 0.749 418 L CB -1.825 40.382 42.059 0.248 0.000 0.893 418 L HN 0.773 nan 8.230 nan 0.000 0.432 419 L N -1.718 119.555 121.223 0.084 0.000 2.622 419 L HA 0.604 4.944 4.340 0.000 0.000 0.233 419 L C 2.611 179.513 176.870 0.052 0.000 1.156 419 L CA 1.997 56.877 54.840 0.066 0.000 0.866 419 L CB -1.977 40.120 42.059 0.062 0.000 0.980 419 L HN 0.871 nan 8.230 nan 0.000 0.448 420 A N -1.627 121.220 122.820 0.046 0.000 1.973 420 A HA 0.184 4.504 4.320 0.000 0.000 0.210 420 A C 1.214 178.813 177.584 0.026 0.000 1.200 420 A CA -0.022 52.035 52.037 0.033 0.000 0.707 420 A CB -0.059 18.957 19.000 0.027 0.000 0.862 420 A HN 0.649 nan 8.150 nan 0.000 0.461 421 E N 1.095 121.311 120.200 0.026 0.000 2.413 421 E HA 0.185 4.535 4.350 0.000 0.000 0.263 421 E C -2.299 174.307 176.600 0.010 0.000 1.015 421 E CA -1.775 54.634 56.400 0.014 0.000 0.916 421 E CB 0.252 29.960 29.700 0.013 0.000 0.947 421 E HN 0.213 nan 8.360 nan 0.000 0.440 422 P HA -0.176 nan 4.420 nan 0.000 0.270 422 P C 0.091 177.374 177.300 -0.028 0.000 1.216 422 P CA 0.338 63.432 63.100 -0.010 0.000 0.788 422 P CB 0.495 32.185 31.700 -0.016 0.000 0.883 423 A N 1.665 124.453 122.820 -0.054 0.000 2.573 423 A HA -0.113 4.207 4.320 0.000 0.000 0.211 423 A C 1.191 178.706 177.584 -0.114 0.000 1.231 423 A CA 2.394 54.351 52.037 -0.133 0.000 0.977 423 A CB -1.741 17.121 19.000 -0.231 0.000 0.761 423 A HN 0.666 nan 8.150 nan 0.000 0.549 424 A N 0.000 122.753 122.820 -0.112 0.000 2.254 424 A HA 0.000 4.320 4.320 0.000 0.000 0.244 424 A CA 0.000 51.996 52.037 -0.068 0.000 0.836 424 A CB 0.000 18.969 19.000 -0.051 0.000 0.831 424 A HN 0.000 nan 8.150 nan 0.000 0.486